RCSB PDB Protein Data Bank A Member of the wwPDB
An Information Portal to Biological Macromolecular Structures
PDB Home | Dictionary Resources Home  |  Dictionary  |  Category Groups  |  Categories  |  Items  |  Data

Item _space_group.reference_setting


Description 

              The reference setting of a given space group is the setting
               chosen by the International Union of Crystallography as a
               unique setting to which other settings can be referred
               using the transformation matrix column pair given in
               *.transform_Pp_abc and *.transform_Qq_xyz.

               The settings are given in the enumeration list in the form
               '_space_group.it_number:_space_group.name_Hall'. The
               space group number defines the space group type and the
               Hall symbol specifies the symmetry generators referred to
               the reference coordinate system.

               The 230 reference settings chosen are identical to the settings
               listed in International Tables for Crystallography Vol. A 
               (1995).  For the space groups where more than one setting is
               given in International Tables, the following choices have 
               been made.

               For monoclinic space groups: unique axis b and cell choice 1.

               For space groups with two origins: origin choice 2 (origin at
               inversion center indicated by adding :2 to the Hermann-Mauguin
               symbol in the enumeration list).

               For rhombohedral space groups: hexagonal axes (indicated by
               adding :h to the Hermann-Mauguin symbol in the enumeration list.

               (Based on http://xtal.crystal.uwa.edu.au/, (select 'Docs',
               select 'space-Group Symbols') Symmetry table of Ralf W.
               Grosse-Kunstleve, ETH, Zurich.)

               The enumeration list may be extracted from the dictionary
               and stored as a separate CIF that can be referred to as
               required.

Category

space_group

Mandatory Code

no

Data Type Code

char

Enumeration Values

Item Value Description
001:P 1 C1.1 P 1
002:-P 1 Ci.1 P -1
003:P 2y C2.1 P 1 2 1
004:P 2yb C2.2 P 1 21 1
005:C 2y C2.3 C 1 2 1
006:P -2y Cs.1 P 1 m 1
007:P -2yc Cs.2 P 1 c 1
008:C -2y Cs.3 C 1 m 1
009:C -2yc Cs.4 C 1 c 1
010:-P 2y C2h.1 P 1 2/m 1
011:-P 2yb C2h.2 P 1 21/m 1
012:-C 2y C2h.3 C 1 2/m 1
013:-P 2yc C2h.4 P 1 2/c 1
014:-P 2ybc C2h.5 P 1 21/c 1
015:-C 2yc C2h.6 C 1 2/c 1
016:P 2 2 D2.1 P 2 2 2
017:P 2c 2 D2.2 P 2 2 21
018:P 2 2ab D2.3 P 21 21 2
019:P 2ac 2ab D2.4 P 21 21 21
020:C 2c 2 D2.5 C 2 2 21
021:C 2 2 D2.6 C 2 2 2
022:F 2 2 D2.7 F 2 2 2
023:I 2 2 D2.8 I 2 2 2
024:I 2b 2c D2.9 I 21 21 21
025:P 2 -2 C2v.1 P m m 2
026:P 2c -2 C2v.2 P m c 21
027:P 2 -2c C2v.3 P c c 2
028:P 2 -2a C2v.4 P m a 2
029:P 2c -2ac C2v.5 P c a 21
030:P 2 -2bc C2v.6 P n c 2
031:P 2ac -2 C2v.7 P m n 21
032:P 2 -2ab C2v.8 P b a 2
033:P 2c -2n C2v.9 P n a 21
034:P 2 -2n C2v.10 P n n 2
035:C 2 -2 C2v.11 C m m 2
036:C 2c -2 C2v.12 C m c 21
037:C 2 -2c C2v.13 C c c 2
038:A 2 -2 C2v.14 A m m 2
039:A 2 -2b C2v.15 A e m 2
040:A 2 -2a C2v.16 A m a 2
041:A 2 -2ab C2v.17 A e a 2
042:F 2 -2 C2v.18 F m m 2
043:F 2 -2d C2v.19 F d d 2
044:I 2 -2 C2v.20 I m m 2
045:I 2 -2c C2v.21 I b a 2
046:I 2 -2a C2v.22 I m a 2
047:-P 2 2 D2h.1 P m m m
048:-P 2ab 2bc D2h.2 P n n n:2
049:-P 2 2c D2h.3 P c c m
050:-P 2ab 2b D2h.4 P b a n:2
051:-P 2a 2a D2h.5 P m m a
052:-P 2a 2bc D2h.6 P n n a
053:-P 2ac 2 D2h.7 P m n a
054:-P 2a 2ac D2h.8 P c c a
055:-P 2 2ab D2h.9 P b a m
056:-P 2ab 2ac D2h.10 P c c n
057:-P 2c 2b D2h.11 P b c m
058:-P 2 2n D2h.12 P n n m
059:-P 2ab 2a D2h.13 P m m n:2
060:-P 2n 2ab D2h.14 P b c n
061:-P 2ac 2ab D2h.15 P b c a
062:-P 2ac 2n D2h.16 P n m a
063:-C 2c 2 D2h.17 C m c m
064:-C 2ac 2 D2h.18 C m c e
065:-C 2 2 D2h.19 C m m m
066:-C 2 2c D2h.20 C c c m
067:-C 2a 2 D2h.21 C m m e
068:-C 2a 2ac D2h.22 C c c e:2
069:-F 2 2 D2h.23 F m m m
070:-F 2uv 2vw D2h.24 F d d d:2
071:-I 2 2 D2h.25 I m m m
072:-I 2 2c D2h.26 I b a m
073:-I 2b 2c D2h.27 I b c a
074:-I 2b 2 D2h.28 I m m a
075:P 4 C4.1 P 4
076:P 4w C4.2 P 41
077:P 4c C4.3 P 42
078:P 4cw C4.4 P 43
079:I 4 C4.5 I 4
080:I 4bw C4.6 I 41
081:P -4 S4.1 P -4
082:I -4 S4.2 I -4
083:-P 4 C4h.1 P 4/m
084:-P 4c C4h.2 P 42/m
085:-P 4a C4h.3 P 4/n:2
086:-P 4bc C4h.4 P 42/n:2
087:-I 4 C4h.5 I 4/m
088:-I 4ad C4h.6 I 41/a:2
089:P 4 2 D4.1 P 4 2 2
090:P 4ab 2ab D4.2 P 4 21 2
091:P 4w 2c D4.3 P 41 2 2
092:P 4abw 2nw D4.4 P 41 21 2
093:P 4c 2 D4.5 P 42 2 2
094:P 4n 2n D4.6 P 42 21 2
095:P 4cw 2c D4.7 P 43 2 2
096:P 4nw 2abw D4.8 P 43 21 2
097:I 4 2 D4.9 I 4 2 2
098:I 4bw 2bw D4.10 I 41 2 2
099:P 4 -2 C4v.1 P 4 m m
100:P 4 -2ab C4v.2 P 4 b m
101:P 4c -2c C4v.3 P 42 c m
102:P 4n -2n C4v.4 P 42 n m
103:P 4 -2c C4v.5 P 4 c c
104:P 4 -2n C4v.6 P 4 n c
105:P 4c -2 C4v.7 P 42 m c
106:P 4c -2ab C4v.8 P 42 b c
107:I 4 -2 C4v.9 I 4 m m
108:I 4 -2c C4v.10 I 4 c m
109:I 4bw -2 C4v.11 I 41 m d
110:I 4bw -2c C4v.12 I 41 c d
111:P -4 2 D2d.1 P -4 2 m
112:P -4 2c D2d.2 P -4 2 c
113:P -4 2ab D2d.3 P -4 21 m
114:P -4 2n D2d.4 P -4 21 c
115:P -4 -2 D2d.5 P -4 m 2
116:P -4 -2c D2d.6 P -4 c 2
117:P -4 -2ab D2d.7 P -4 b 2
118:P -4 -2n D2d.8 P -4 n 2
119:I -4 -2 D2d.9 I -4 m 2
120:I -4 -2c D2d.10 I -4 c 2
121:I -4 2 D2d.11 I -4 2 m
122:I -4 2bw D2d.12 I -4 2 d
123:-P 4 2 D4h.1 P 4/m m m
124:-P 4 2c D4h.2 P 4/m c c
125:-P 4a 2b D4h.3 P 4/n b m:2
126:-P 4a 2bc D4h.4 P 4/n n c:2
127:-P 4 2ab D4h.5 P 4/m b m
128:-P 4 2n D4h.6 P 4/m n c
129:-P 4a 2a D4h.7 P 4/n m m:2
130:-P 4a 2ac D4h.8 P 4/n c c:2
131:-P 4c 2 D4h.9 P 42/m m c
132:-P 4c 2c D4h.10 P 42/m c m
133:-P 4ac 2b D4h.11 P 42/n b c:2
134:-P 4ac 2bc D4h.12 P 42/n n m:2
135:-P 4c 2ab D4h.13 P 42/m b c
136:-P 4n 2n D4h.14 P 42/m n m
137:-P 4ac 2a D4h.15 P 42/n m c:2
138:-P 4ac 2ac D4h.16 P 42/n c m:2
139:-I 4 2 D4h.17 I 4/m m m
140:-I 4 2c D4h.18 I 4/m c m
141:-I 4bd 2 D4h.19 I 41/a m d:2
142:-I 4bd 2c D4h.20 I 41/a c d:2
143:P 3 C3.1 P 3
144:P 31 C3.2 P 31
145:P 32 C3.3 P 32
146:R 3 C3.4 R 3:h
147:-P 3 C3i.1 P -3
148:-R 3 C3i.2 R -3:h
149:P 3 2 D3.1 P 3 1 2
150:P 3 2" D3.2 P 3 2 1
151:P 31 2 (0 0 4) D3.3 P 31 1 2
152:P 31 2" D3.4 P 31 2 1
153:P 32 2 (0 0 2) D3.5 P 32 1 2
154:P 32 2" D3.6 P 32 2 1
155:R 3 2" D3.7 R 3 2:h
156:P 3 -2" C3v.1 P 3 m 1
157:P 3 -2 C3v.2 P 3 1 m
158:P 3 -2"c C3v.3 P 3 c 1
159:P 3 -2c C3v.4 P 3 1 c
160:R 3 -2" C3v.5 R 3 m:h
161:R 3 -2"c C3v.6 R 3 c:h
162:-P 3 2 D3d.1 P -3 1 m
163:-P 3 2c D3d.2 P -3 1 c
164:-P 3 2" D3d.3 P -3 m 1
165:-P 3 2"c D3d.4 P -3 c 1
166:-R 3 2" D3d.5 R -3 m:h
167:-R 3 2"c D3d.6 R -3 c:h
168:P 6 C6.1 P 6
169:P 61 C6.2 P 61
170:P 65 C6.3 P 65
171:P 62 C6.4 P 62
172:P 64 C6.5 P 64
173:P 6c C6.6 P 63
174:P -6 C3h.1 P -6
175:-P 6 C6h.1 P 6/m
176:-P 6c C6h.2 P 63/m
177:P 6 2 D6.1 P 6 2 2
178:P 61 2 (0 0 5) D6.2 P 61 2 2
179:P 65 2 (0 0 1) D6.3 P 65 2 2
180:P 62 2 (0 0 4) D6.4 P 62 2 2
181:P 64 2 (0 0 2) D6.5 P 64 2 2
182:P 6c 2c D6.6 P 63 2 2
183:P 6 -2 C6v.1 P 6 m m
184:P 6 -2c C6v.2 P 6 c c
185:P 6c -2 C6v.3 P 63 c m
186:P 6c -2c C6v.4 P 63 m c
187:P -6 2 D3h.1 P -6 m 2
188:P -6c 2 D3h.2 P -6 c 2
189:P -6 -2 D3h.3 P -6 2 m
190:P -6c -2c D3h.4 P -6 2 c
191:-P 6 2 D6h.1 P 6/m m m
192:-P 6 2c D6h.2 P 6/m c c
193:-P 6c 2 D6h.3 P 63/m c m
194:-P 6c 2c D6h.4 P 63/m m c
195:P 2 2 3 T.1 P 2 3
196:F 2 2 3 T.2 F 2 3
197:I 2 2 3 T.3 I 2 3
198:P 2ac 2ab 3 T.4 P 21 3
199:I 2b 2c 3 T.5 I 21 3
200:-P 2 2 3 Th.1 P m -3
201:-P 2ab 2bc 3 Th.2 P n -3:2
202:-F 2 2 3 Th.3 F m -3
203:-F 2uv 2vw 3 Th.4 F d -3:2
204:-I 2 2 3 Th.5 I m -3
205:-P 2ac 2ab 3 Th.6 P a -3
206:-I 2b 2c 3 Th.7 I a -3
207:P 4 2 3 O.1 P 4 3 2
208:P 4n 2 3 O.2 P 42 3 2
209:F 4 2 3 O.3 F 4 3 2
210:F 4d 2 3 O.4 F 41 3 2
211:I 4 2 3 O.5 I 4 3 2
212:P 4acd 2ab 3 O.6 P 43 3 2
213:P 4bd 2ab 3 O.7 P 41 3 2
214:I 4bd 2c 3 O.8 I 41 3 2
215:P -4 2 3 Td.1 P -4 3 m
216:F -4 2 3 Td.2 F -4 3 m
217:I -4 2 3 Td.3 I -4 3 m
218:P -4n 2 3 Td.4 P -4 3 n
219:F -4a 2 3 Td.5 F -4 3 c
220:I -4bd 2c 3 Td.6 I -4 3 d
221:-P 4 2 3 Oh.1 P m -3 m
222:-P 4a 2bc 3 Oh.2 P n -3 n:2
223:-P 4n 2 3 Oh.3 P m -3 n
224:-P 4bc 2bc 3 Oh.4 P n -3 m:2
225:-F 4 2 3 Oh.5 F m -3 m
226:-F 4a 2 3 Oh.6 F m -3 c
227:-F 4vw 2vw 3 Oh.7 F d -3 m:2
228:-F 4ud 2vw 3 Oh.8 F d -3 c:2
229:-I 4 2 3 Oh.9 I m -3 m
230:-I 4bd 2c 3 Oh.10 I a -3 d

 

© RCSB PDB