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- PDB-6ql7: Structure of fatty acid synthase complex with bound gamma subunit... -

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Basic information

Entry
Database: PDB / ID: 6ql7
TitleStructure of fatty acid synthase complex with bound gamma subunit from Saccharomyces cerevisiae at 4.6 angstrom
Components
  • Fatty acid synthase subunit alpha
  • Fatty acid synthase subunit beta
  • Translation machinery-associated protein 17
KeywordsTRANSFERASE / Fatty acid synthase / Acyl carrier protein / Ketosynthase / Ketoreductase / Enoyl reductase / Dehydratase / Malonyl/palmitoyl transferase / Acetyl transferase / Phosphopantetheine transferase
Function / homology
Function and homology information


: / fatty-acyl-CoA synthase system / fatty-acyl-CoA synthase activity / fatty acid synthase complex / [acyl-carrier-protein] S-acetyltransferase / palmitoyltransferase activity / (3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity / [acyl-carrier-protein] S-acetyltransferase activity / fatty acyl-[ACP] hydrolase activity / oleoyl-[acyl-carrier-protein] hydrolase ...: / fatty-acyl-CoA synthase system / fatty-acyl-CoA synthase activity / fatty acid synthase complex / [acyl-carrier-protein] S-acetyltransferase / palmitoyltransferase activity / (3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity / [acyl-carrier-protein] S-acetyltransferase activity / fatty acyl-[ACP] hydrolase activity / oleoyl-[acyl-carrier-protein] hydrolase / : / proteasome regulatory particle assembly / holo-[acyl-carrier-protein] synthase activity / [acyl-carrier-protein] S-malonyltransferase / [acyl-carrier-protein] S-malonyltransferase activity / 3-hydroxyacyl-[acyl-carrier-protein] dehydratase / beta-ketoacyl-[acyl-carrier-protein] synthase I / 3-oxoacyl-[acyl-carrier-protein] reductase / 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity / enoyl-[acyl-carrier-protein] reductase (NADH) / long-chain fatty acid biosynthetic process / fatty acid synthase activity / enoyl-[acyl-carrier-protein] reductase (NADH) activity / 3-oxoacyl-[acyl-carrier-protein] synthase activity / lipid droplet / protein-macromolecule adaptor activity / magnesium ion binding / mitochondrion / nucleus / cytoplasm / cytosol
Similarity search - Function
Translation machinery-associated protein 17 / Fatty acid synthase, meander beta sheet domain / Fatty acid synthase subunit beta, N-terminal domain / : / N-terminal domain in fatty acid synthase subunit beta / Fatty acid synthase meander beta sheet domain / Fatty acid synthase beta subunit AflB /Fas1-like, fungi / Fatty acid synthase subunit alpha, acyl carrier domain / Fatty acid synthase subunit alpha Acyl carrier domain / Fatty acid synthase beta subunit AflB /Fas1-like, central domain ...Translation machinery-associated protein 17 / Fatty acid synthase, meander beta sheet domain / Fatty acid synthase subunit beta, N-terminal domain / : / N-terminal domain in fatty acid synthase subunit beta / Fatty acid synthase meander beta sheet domain / Fatty acid synthase beta subunit AflB /Fas1-like, fungi / Fatty acid synthase subunit alpha, acyl carrier domain / Fatty acid synthase subunit alpha Acyl carrier domain / Fatty acid synthase beta subunit AflB /Fas1-like, central domain / Fatty acid synthase alpha subunit, yeast / Fatty acid synthase subunit beta/Fas1-like, helical / Fatty acid synthase type I, helical / Fatty acid synthase type I helical domain / Fatty acid synthase / N-terminal of MaoC-like dehydratase / N-terminal half of MaoC dehydratase / Starter unit:ACP transacylase / Starter unit:ACP transacylase in aflatoxin biosynthesis / Holo-[acyl carrier protein] synthase / Phosphopantetheine-protein transferase domain / MaoC-like dehydratase domain / MaoC like domain / 4'-phosphopantetheinyl transferase domain / 4'-phosphopantetheinyl transferase domain superfamily / 4'-phosphopantetheinyl transferase superfamily / HotDog domain superfamily / Acyl transferase domain superfamily / Acyl transferase / Acyl transferase domain / Acyl transferase domain in polyketide synthase (PKS) enzymes. / Acyl transferase/acyl hydrolase/lysophospholipase / Ketosynthase family 3 (KS3) domain profile. / Beta-ketoacyl synthase, active site / Ketosynthase family 3 (KS3) active site signature. / Polyketide synthase, beta-ketoacyl synthase domain / Beta-ketoacyl synthase, N-terminal / Beta-ketoacyl synthase, C-terminal / Beta-ketoacyl synthase, N-terminal domain / Beta-ketoacyl synthase, C-terminal domain / Thiolase-like / Phosphopantetheine attachment site. / Carrier protein (CP) domain profile. / Phosphopantetheine binding ACP domain / Aldolase-type TIM barrel / NAD(P)-binding domain superfamily
Similarity search - Domain/homology
Fatty acid synthase subunit beta / Fatty acid synthase subunit alpha / Translation machinery-associated protein 17
Similarity search - Component
Biological speciesSaccharomyces cerevisiae (brewer's yeast)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 4.6 Å
AuthorsSingh, K. / Graf, B. / Linden, A. / Sautner, V. / Urlaub, H. / Tittmann, K. / Stark, H. / Chari, A.
Funding support Germany, 1items
OrganizationGrant numberCountry
German Research FoundationSFB860-TP A5 Germany
CitationJournal: Cell / Year: 2020
Title: Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Authors: Kashish Singh / Benjamin Graf / Andreas Linden / Viktor Sautner / Henning Urlaub / Kai Tittmann / Holger Stark / Ashwin Chari /
Abstract: Fatty acid synthases (FASs) are central to metabolism but are also of biotechnological interest for the production of fine chemicals and biofuels from renewable resources. During fatty acid ...Fatty acid synthases (FASs) are central to metabolism but are also of biotechnological interest for the production of fine chemicals and biofuels from renewable resources. During fatty acid synthesis, the growing fatty acid chain is thought to be shuttled by the dynamic acyl carrier protein domain to several enzyme active sites. Here, we report the discovery of a γ subunit of the 2.6 megadalton α-βS. cerevisiae FAS, which is shown by high-resolution structures to stabilize a rotated FAS conformation and rearrange ACP domains from equatorial to axial positions. The γ subunit spans the length of the FAS inner cavity, impeding reductase activities of FAS, regulating NADPH turnover by kinetic hysteresis at the ketoreductase, and suppressing off-pathway reactions at the enoylreductase. The γ subunit delineates the functional compartment within FAS. As a scaffold, it may be exploited to incorporate natural and designed enzymatic activities that are not present in natural FAS.
History
DepositionJan 31, 2019Deposition site: PDBE / Processing site: PDBE
Revision 1.0Mar 18, 2020Provider: repository / Type: Initial release
Revision 1.1Apr 8, 2020Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.2May 15, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim / struct_sheet
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id / _struct_sheet.number_strands

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Fatty acid synthase subunit alpha
B: Fatty acid synthase subunit alpha
C: Fatty acid synthase subunit alpha
D: Fatty acid synthase subunit alpha
E: Fatty acid synthase subunit alpha
F: Fatty acid synthase subunit alpha
G: Fatty acid synthase subunit beta
H: Fatty acid synthase subunit beta
I: Fatty acid synthase subunit beta
J: Fatty acid synthase subunit beta
K: Fatty acid synthase subunit beta
L: Fatty acid synthase subunit beta
M: Translation machinery-associated protein 17
N: Translation machinery-associated protein 17
O: Translation machinery-associated protein 17
P: Translation machinery-associated protein 17
Q: Translation machinery-associated protein 17
R: Translation machinery-associated protein 17
a: Fatty acid synthase subunit alpha
b: Fatty acid synthase subunit alpha
c: Fatty acid synthase subunit alpha
d: Fatty acid synthase subunit alpha
e: Fatty acid synthase subunit alpha
f: Fatty acid synthase subunit alpha
g: Fatty acid synthase subunit beta
h: Fatty acid synthase subunit beta
i: Fatty acid synthase subunit beta
j: Fatty acid synthase subunit beta
k: Fatty acid synthase subunit beta
l: Fatty acid synthase subunit beta
m: Translation machinery-associated protein 17
n: Translation machinery-associated protein 17
o: Translation machinery-associated protein 17
p: Translation machinery-associated protein 17
q: Translation machinery-associated protein 17
r: Translation machinery-associated protein 17


Theoretical massNumber of molelcules
Total (without water)5,435,00736
Polymers5,435,00736
Non-polymers00
Water00
1
A: Fatty acid synthase subunit alpha
B: Fatty acid synthase subunit alpha
C: Fatty acid synthase subunit alpha
D: Fatty acid synthase subunit alpha
E: Fatty acid synthase subunit alpha
F: Fatty acid synthase subunit alpha
G: Fatty acid synthase subunit beta
H: Fatty acid synthase subunit beta
I: Fatty acid synthase subunit beta
J: Fatty acid synthase subunit beta
K: Fatty acid synthase subunit beta
L: Fatty acid synthase subunit beta
M: Translation machinery-associated protein 17
N: Translation machinery-associated protein 17
O: Translation machinery-associated protein 17
P: Translation machinery-associated protein 17
Q: Translation machinery-associated protein 17
R: Translation machinery-associated protein 17


Theoretical massNumber of molelcules
Total (without water)2,717,50418
Polymers2,717,50418
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
a: Fatty acid synthase subunit alpha
b: Fatty acid synthase subunit alpha
c: Fatty acid synthase subunit alpha
d: Fatty acid synthase subunit alpha
e: Fatty acid synthase subunit alpha
f: Fatty acid synthase subunit alpha
g: Fatty acid synthase subunit beta
h: Fatty acid synthase subunit beta
i: Fatty acid synthase subunit beta
j: Fatty acid synthase subunit beta
k: Fatty acid synthase subunit beta
l: Fatty acid synthase subunit beta
m: Translation machinery-associated protein 17
n: Translation machinery-associated protein 17
o: Translation machinery-associated protein 17
p: Translation machinery-associated protein 17
q: Translation machinery-associated protein 17
r: Translation machinery-associated protein 17


Theoretical massNumber of molelcules
Total (without water)2,717,50418
Polymers2,717,50418
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)234.922, 430.307, 422.610
Angle α, β, γ (deg.)90.000, 97.010, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
12A
22C
13A
23D
14A
24E
15A
25F
16A
26a
17A
27b
18A
28c
19A
29d
110A
210e
111A
211f
112B
212C
113B
213D
114B
214E
115B
215F
116B
216a
117B
217b
118B
218c
119B
219d
120B
220e
121B
221f
122C
222D
123C
223E
124C
224F
125C
225a
126C
226b
127C
227c
128C
228d
129C
229e
130C
230f
131D
231E
132D
232F
133D
233a
134D
234b
135D
235c
136D
236d
137D
237e
138D
238f
139E
239F
140E
240a
141E
241b
142E
242c
143E
243d
144E
244e
145E
245f
146F
246a
147F
247b
148F
248c
149F
249d
150F
250e
151F
251f
152G
252H
153G
253I
154G
254J
155G
255K
156G
256L
157G
257g
158G
258h
159G
259i
160G
260j
161G
261k
162G
262l
163H
263I
164H
264J
165H
265K
166H
266L
167H
267g
168H
268h
169H
269i
170H
270j
171H
271k
172H
272l
173I
273J
174I
274K
175I
275L
176I
276g
177I
277h
178I
278i
179I
279j
180I
280k
181I
281l
182J
282K
183J
283L
184J
284g
185J
285h
186J
286i
187J
287j
188J
288k
189J
289l
190K
290L
191K
291g
192K
292h
193K
293i
194K
294j
195K
295k
196K
296l
197L
297g
198L
298h
199L
299i
1100L
2100j
1101L
2101k
1102L
2102l
1103M
2103N
1104M
2104O
1105M
2105P
1106M
2106Q
1107M
2107R
1108M
2108m
1109M
2109n
1110M
2110o
1111M
2111p
1112M
2112q
1113M
2113r
1114N
2114O
1115N
2115P
1116N
2116Q
1117N
2117R
1118N
2118m
1119N
2119n
1120N
2120o
1121N
2121p
1122N
2122q
1123N
2123r
1124O
2124P
1125O
2125Q
1126O
2126R
1127O
2127m
1128O
2128n
1129O
2129o
1130O
2130p
1131O
2131q
1132O
2132r
1133P
2133Q
1134P
2134R
1135P
2135m
1136P
2136n
1137P
2137o
1138P
2138p
1139P
2139q
1140P
2140r
1141Q
2141R
1142Q
2142m
1143Q
2143n
1144Q
2144o
1145Q
2145p
1146Q
2146q
1147Q
2147r
1148R
2148m
1149R
2149n
1150R
2150o
1151R
2151p
1152R
2152q
1153R
2153r
1154a
2154b
1155a
2155c
1156a
2156d
1157a
2157e
1158a
2158f
1159b
2159c
1160b
2160d
1161b
2161e
1162b
2162f
1163c
2163d
1164c
2164e
1165c
2165f
1166d
2166e
1167d
2167f
1168e
2168f
1169g
2169h
1170g
2170i
1171g
2171j
1172g
2172k
1173g
2173l
1174h
2174i
1175h
2175j
1176h
2176k
1177h
2177l
1178i
2178j
1179i
2179k
1180i
2180l
1181j
2181k
1182j
2182l
1183k
2183l
1184m
2184n
1185m
2185o
1186m
2186p
1187m
2187q
1188m
2188r
1189n
2189o
1190n
2190p
1191n
2191q
1192n
2192r
1193o
2193p
1194o
2194q
1195o
2195r
1196p
2196q
1197p
2197r
1198q
2198r

NCS domain segments:

Component-ID: _ / Refine code: _

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11METMETLYSLYSAA1 - 18861 - 1886
21METMETLYSLYSBB1 - 18861 - 1886
12METMETLYSLYSAA1 - 18861 - 1886
22METMETLYSLYSCC1 - 18861 - 1886
13METMETLYSLYSAA1 - 18861 - 1886
23METMETLYSLYSDD1 - 18861 - 1886
14METMETLYSLYSAA1 - 18861 - 1886
24METMETLYSLYSEE1 - 18861 - 1886
15METMETLYSLYSAA1 - 18861 - 1886
25METMETLYSLYSFF1 - 18861 - 1886
16METMETLYSLYSAA1 - 18861 - 1886
26METMETLYSLYSaS1 - 18861 - 1886
17METMETLYSLYSAA1 - 18861 - 1886
27METMETLYSLYSbT1 - 18861 - 1886
18METMETLYSLYSAA1 - 18861 - 1886
28METMETLYSLYScU1 - 18861 - 1886
19METMETLYSLYSAA1 - 18861 - 1886
29METMETLYSLYSdV1 - 18861 - 1886
110METMETLYSLYSAA1 - 18861 - 1886
210METMETLYSLYSeW1 - 18861 - 1886
111METMETLYSLYSAA1 - 18861 - 1886
211METMETLYSLYSfX1 - 18861 - 1886
112METMETLYSLYSBB1 - 18861 - 1886
212METMETLYSLYSCC1 - 18861 - 1886
113METMETLYSLYSBB1 - 18861 - 1886
213METMETLYSLYSDD1 - 18861 - 1886
114METMETLYSLYSBB1 - 18861 - 1886
214METMETLYSLYSEE1 - 18861 - 1886
115METMETLYSLYSBB1 - 18861 - 1886
215METMETLYSLYSFF1 - 18861 - 1886
116METMETLYSLYSBB1 - 18861 - 1886
216METMETLYSLYSaS1 - 18861 - 1886
117METMETLYSLYSBB1 - 18861 - 1886
217METMETLYSLYSbT1 - 18861 - 1886
118METMETLYSLYSBB1 - 18861 - 1886
218METMETLYSLYScU1 - 18861 - 1886
119METMETLYSLYSBB1 - 18861 - 1886
219METMETLYSLYSdV1 - 18861 - 1886
120METMETLYSLYSBB1 - 18861 - 1886
220METMETLYSLYSeW1 - 18861 - 1886
121METMETLYSLYSBB1 - 18861 - 1886
221METMETLYSLYSfX1 - 18861 - 1886
122METMETLYSLYSCC1 - 18861 - 1886
222METMETLYSLYSDD1 - 18861 - 1886
123METMETLYSLYSCC1 - 18861 - 1886
223METMETLYSLYSEE1 - 18861 - 1886
124METMETLYSLYSCC1 - 18861 - 1886
224METMETLYSLYSFF1 - 18861 - 1886
125METMETLYSLYSCC1 - 18861 - 1886
225METMETLYSLYSaS1 - 18861 - 1886
126METMETLYSLYSCC1 - 18861 - 1886
226METMETLYSLYSbT1 - 18861 - 1886
127METMETLYSLYSCC1 - 18861 - 1886
227METMETLYSLYScU1 - 18861 - 1886
128METMETLYSLYSCC1 - 18861 - 1886
228METMETLYSLYSdV1 - 18861 - 1886
129METMETLYSLYSCC1 - 18861 - 1886
229METMETLYSLYSeW1 - 18861 - 1886
130METMETLYSLYSCC1 - 18861 - 1886
230METMETLYSLYSfX1 - 18861 - 1886
131METMETLYSLYSDD1 - 18861 - 1886
231METMETLYSLYSEE1 - 18861 - 1886
132METMETLYSLYSDD1 - 18861 - 1886
232METMETLYSLYSFF1 - 18861 - 1886
133METMETLYSLYSDD1 - 18861 - 1886
233METMETLYSLYSaS1 - 18861 - 1886
134METMETLYSLYSDD1 - 18861 - 1886
234METMETLYSLYSbT1 - 18861 - 1886
135METMETLYSLYSDD1 - 18861 - 1886
235METMETLYSLYScU1 - 18861 - 1886
136METMETLYSLYSDD1 - 18861 - 1886
236METMETLYSLYSdV1 - 18861 - 1886
137METMETLYSLYSDD1 - 18861 - 1886
237METMETLYSLYSeW1 - 18861 - 1886
138METMETLYSLYSDD1 - 18861 - 1886
238METMETLYSLYSfX1 - 18861 - 1886
139METMETLYSLYSEE1 - 18861 - 1886
239METMETLYSLYSFF1 - 18861 - 1886
140METMETLYSLYSEE1 - 18861 - 1886
240METMETLYSLYSaS1 - 18861 - 1886
141METMETLYSLYSEE1 - 18861 - 1886
241METMETLYSLYSbT1 - 18861 - 1886
142METMETLYSLYSEE1 - 18861 - 1886
242METMETLYSLYScU1 - 18861 - 1886
143METMETLYSLYSEE1 - 18861 - 1886
243METMETLYSLYSdV1 - 18861 - 1886
144METMETLYSLYSEE1 - 18861 - 1886
244METMETLYSLYSeW1 - 18861 - 1886
145METMETLYSLYSEE1 - 18861 - 1886
245METMETLYSLYSfX1 - 18861 - 1886
146METMETLYSLYSFF1 - 18861 - 1886
246METMETLYSLYSaS1 - 18861 - 1886
147METMETLYSLYSFF1 - 18861 - 1886
247METMETLYSLYSbT1 - 18861 - 1886
148METMETLYSLYSFF1 - 18861 - 1886
248METMETLYSLYScU1 - 18861 - 1886
149METMETLYSLYSFF1 - 18861 - 1886
249METMETLYSLYSdV1 - 18861 - 1886
150METMETLYSLYSFF1 - 18861 - 1886
250METMETLYSLYSeW1 - 18861 - 1886
151METMETLYSLYSFF1 - 18861 - 1886
251METMETLYSLYSfX1 - 18861 - 1886
152SERSERGLNGLNGG5 - 20505 - 2050
252SERSERGLNGLNHH5 - 20505 - 2050
153SERSERGLNGLNGG5 - 20505 - 2050
253SERSERGLNGLNII5 - 20505 - 2050
154SERSERGLNGLNGG5 - 20505 - 2050
254SERSERGLNGLNJJ5 - 20505 - 2050
155SERSERGLNGLNGG5 - 20505 - 2050
255SERSERGLNGLNKK5 - 20505 - 2050
156SERSERGLNGLNGG5 - 20505 - 2050
256SERSERGLNGLNLL5 - 20505 - 2050
157SERSERGLNGLNGG5 - 20505 - 2050
257SERSERGLNGLNgY5 - 20505 - 2050
158SERSERGLNGLNGG5 - 20505 - 2050
258SERSERGLNGLNhZ5 - 20505 - 2050
159SERSERGLNGLNGG5 - 20505 - 2050
259SERSERGLNGLNiAA5 - 20505 - 2050
160SERSERGLNGLNGG5 - 20505 - 2050
260SERSERGLNGLNjBA5 - 20505 - 2050
161SERSERGLNGLNGG5 - 20505 - 2050
261SERSERGLNGLNkCA5 - 20505 - 2050
162SERSERGLNGLNGG5 - 20505 - 2050
262SERSERGLNGLNlDA5 - 20505 - 2050
163SERSERGLNGLNHH5 - 20505 - 2050
263SERSERGLNGLNII5 - 20505 - 2050
164SERSERGLNGLNHH5 - 20505 - 2050
264SERSERGLNGLNJJ5 - 20505 - 2050
165SERSERGLNGLNHH5 - 20505 - 2050
265SERSERGLNGLNKK5 - 20505 - 2050
166SERSERGLNGLNHH5 - 20505 - 2050
266SERSERGLNGLNLL5 - 20505 - 2050
167SERSERGLNGLNHH5 - 20505 - 2050
267SERSERGLNGLNgY5 - 20505 - 2050
168SERSERGLNGLNHH5 - 20505 - 2050
268SERSERGLNGLNhZ5 - 20505 - 2050
169SERSERGLNGLNHH5 - 20505 - 2050
269SERSERGLNGLNiAA5 - 20505 - 2050
170SERSERGLNGLNHH5 - 20505 - 2050
270SERSERGLNGLNjBA5 - 20505 - 2050
171SERSERGLNGLNHH5 - 20505 - 2050
271SERSERGLNGLNkCA5 - 20505 - 2050
172SERSERGLNGLNHH5 - 20505 - 2050
272SERSERGLNGLNlDA5 - 20505 - 2050
173SERSERGLNGLNII5 - 20505 - 2050
273SERSERGLNGLNJJ5 - 20505 - 2050
174SERSERGLNGLNII5 - 20505 - 2050
274SERSERGLNGLNKK5 - 20505 - 2050
175SERSERGLNGLNII5 - 20505 - 2050
275SERSERGLNGLNLL5 - 20505 - 2050
176SERSERGLNGLNII5 - 20505 - 2050
276SERSERGLNGLNgY5 - 20505 - 2050
177SERSERGLNGLNII5 - 20505 - 2050
277SERSERGLNGLNhZ5 - 20505 - 2050
178SERSERGLNGLNII5 - 20505 - 2050
278SERSERGLNGLNiAA5 - 20505 - 2050
179SERSERGLNGLNII5 - 20505 - 2050
279SERSERGLNGLNjBA5 - 20505 - 2050
180SERSERGLNGLNII5 - 20505 - 2050
280SERSERGLNGLNkCA5 - 20505 - 2050
181SERSERGLNGLNII5 - 20505 - 2050
281SERSERGLNGLNlDA5 - 20505 - 2050
182SERSERGLNGLNJJ5 - 20505 - 2050
282SERSERGLNGLNKK5 - 20505 - 2050
183SERSERGLNGLNJJ5 - 20505 - 2050
283SERSERGLNGLNLL5 - 20505 - 2050
184SERSERGLNGLNJJ5 - 20505 - 2050
284SERSERGLNGLNgY5 - 20505 - 2050
185SERSERGLNGLNJJ5 - 20505 - 2050
285SERSERGLNGLNhZ5 - 20505 - 2050
186SERSERGLNGLNJJ5 - 20505 - 2050
286SERSERGLNGLNiAA5 - 20505 - 2050
187SERSERGLNGLNJJ5 - 20505 - 2050
287SERSERGLNGLNjBA5 - 20505 - 2050
188SERSERGLNGLNJJ5 - 20505 - 2050
288SERSERGLNGLNkCA5 - 20505 - 2050
189SERSERGLNGLNJJ5 - 20505 - 2050
289SERSERGLNGLNlDA5 - 20505 - 2050
190SERSERGLNGLNKK5 - 20505 - 2050
290SERSERGLNGLNLL5 - 20505 - 2050
191SERSERGLNGLNKK5 - 20505 - 2050
291SERSERGLNGLNgY5 - 20505 - 2050
192SERSERGLNGLNKK5 - 20505 - 2050
292SERSERGLNGLNhZ5 - 20505 - 2050
193SERSERGLNGLNKK5 - 20505 - 2050
293SERSERGLNGLNiAA5 - 20505 - 2050
194SERSERGLNGLNKK5 - 20505 - 2050
294SERSERGLNGLNjBA5 - 20505 - 2050
195SERSERGLNGLNKK5 - 20505 - 2050
295SERSERGLNGLNkCA5 - 20505 - 2050
196SERSERGLNGLNKK5 - 20505 - 2050
296SERSERGLNGLNlDA5 - 20505 - 2050
197SERSERGLNGLNLL5 - 20505 - 2050
297SERSERGLNGLNgY5 - 20505 - 2050
198SERSERGLNGLNLL5 - 20505 - 2050
298SERSERGLNGLNhZ5 - 20505 - 2050
199SERSERGLNGLNLL5 - 20505 - 2050
299SERSERGLNGLNiAA5 - 20505 - 2050
1100SERSERGLNGLNLL5 - 20505 - 2050
2100SERSERGLNGLNjBA5 - 20505 - 2050
1101SERSERGLNGLNLL5 - 20505 - 2050
2101SERSERGLNGLNkCA5 - 20505 - 2050
1102SERSERGLNGLNLL5 - 20505 - 2050
2102SERSERGLNGLNlDA5 - 20505 - 2050
1103SERSERILEILEMM3 - 1503 - 150
2103SERSERILEILENN3 - 1503 - 150
1104SERSERILEILEMM3 - 1503 - 150
2104SERSERILEILEOO3 - 1503 - 150
1105SERSERILEILEMM3 - 1503 - 150
2105SERSERILEILEPP3 - 1503 - 150
1106SERSERILEILEMM3 - 1503 - 150
2106SERSERILEILEQQ3 - 1503 - 150
1107SERSERILEILEMM3 - 1503 - 150
2107SERSERILEILERR3 - 1503 - 150
1108SERSERILEILEMM3 - 1503 - 150
2108SERSERILEILEmEA3 - 1503 - 150
1109SERSERILEILEMM3 - 1503 - 150
2109SERSERILEILEnFA3 - 1503 - 150
1110SERSERILEILEMM3 - 1503 - 150
2110SERSERILEILEoGA3 - 1503 - 150
1111SERSERILEILEMM3 - 1503 - 150
2111SERSERILEILEpHA3 - 1503 - 150
1112SERSERILEILEMM3 - 1503 - 150
2112SERSERILEILEqIA3 - 1503 - 150
1113SERSERILEILEMM3 - 1503 - 150
2113SERSERILEILErJA3 - 1503 - 150
1114SERSERILEILENN3 - 1503 - 150
2114SERSERILEILEOO3 - 1503 - 150
1115SERSERILEILENN3 - 1503 - 150
2115SERSERILEILEPP3 - 1503 - 150
1116SERSERILEILENN3 - 1503 - 150
2116SERSERILEILEQQ3 - 1503 - 150
1117SERSERILEILENN3 - 1503 - 150
2117SERSERILEILERR3 - 1503 - 150
1118SERSERILEILENN3 - 1503 - 150
2118SERSERILEILEmEA3 - 1503 - 150
1119SERSERILEILENN3 - 1503 - 150
2119SERSERILEILEnFA3 - 1503 - 150
1120SERSERILEILENN3 - 1503 - 150
2120SERSERILEILEoGA3 - 1503 - 150
1121SERSERILEILENN3 - 1503 - 150
2121SERSERILEILEpHA3 - 1503 - 150
1122SERSERILEILENN3 - 1503 - 150
2122SERSERILEILEqIA3 - 1503 - 150
1123SERSERILEILENN3 - 1503 - 150
2123SERSERILEILErJA3 - 1503 - 150
1124SERSERILEILEOO3 - 1503 - 150
2124SERSERILEILEPP3 - 1503 - 150
1125SERSERILEILEOO3 - 1503 - 150
2125SERSERILEILEQQ3 - 1503 - 150
1126SERSERILEILEOO3 - 1503 - 150
2126SERSERILEILERR3 - 1503 - 150
1127SERSERILEILEOO3 - 1503 - 150
2127SERSERILEILEmEA3 - 1503 - 150
1128SERSERILEILEOO3 - 1503 - 150
2128SERSERILEILEnFA3 - 1503 - 150
1129SERSERILEILEOO3 - 1503 - 150
2129SERSERILEILEoGA3 - 1503 - 150
1130SERSERILEILEOO3 - 1503 - 150
2130SERSERILEILEpHA3 - 1503 - 150
1131SERSERILEILEOO3 - 1503 - 150
2131SERSERILEILEqIA3 - 1503 - 150
1132SERSERILEILEOO3 - 1503 - 150
2132SERSERILEILErJA3 - 1503 - 150
1133SERSERILEILEPP3 - 1503 - 150
2133SERSERILEILEQQ3 - 1503 - 150
1134SERSERILEILEPP3 - 1503 - 150
2134SERSERILEILERR3 - 1503 - 150
1135SERSERILEILEPP3 - 1503 - 150
2135SERSERILEILEmEA3 - 1503 - 150
1136SERSERILEILEPP3 - 1503 - 150
2136SERSERILEILEnFA3 - 1503 - 150
1137SERSERILEILEPP3 - 1503 - 150
2137SERSERILEILEoGA3 - 1503 - 150
1138SERSERILEILEPP3 - 1503 - 150
2138SERSERILEILEpHA3 - 1503 - 150
1139SERSERILEILEPP3 - 1503 - 150
2139SERSERILEILEqIA3 - 1503 - 150
1140SERSERILEILEPP3 - 1503 - 150
2140SERSERILEILErJA3 - 1503 - 150
1141SERSERILEILEQQ3 - 1503 - 150
2141SERSERILEILERR3 - 1503 - 150
1142SERSERILEILEQQ3 - 1503 - 150
2142SERSERILEILEmEA3 - 1503 - 150
1143SERSERILEILEQQ3 - 1503 - 150
2143SERSERILEILEnFA3 - 1503 - 150
1144SERSERILEILEQQ3 - 1503 - 150
2144SERSERILEILEoGA3 - 1503 - 150
1145SERSERILEILEQQ3 - 1503 - 150
2145SERSERILEILEpHA3 - 1503 - 150
1146SERSERILEILEQQ3 - 1503 - 150
2146SERSERILEILEqIA3 - 1503 - 150
1147SERSERILEILEQQ3 - 1503 - 150
2147SERSERILEILErJA3 - 1503 - 150
1148SERSERILEILERR3 - 1503 - 150
2148SERSERILEILEmEA3 - 1503 - 150
1149SERSERILEILERR3 - 1503 - 150
2149SERSERILEILEnFA3 - 1503 - 150
1150SERSERILEILERR3 - 1503 - 150
2150SERSERILEILEoGA3 - 1503 - 150
1151SERSERILEILERR3 - 1503 - 150
2151SERSERILEILEpHA3 - 1503 - 150
1152SERSERILEILERR3 - 1503 - 150
2152SERSERILEILEqIA3 - 1503 - 150
1153SERSERILEILERR3 - 1503 - 150
2153SERSERILEILErJA3 - 1503 - 150
1154METMETLYSLYSaS1 - 18861 - 1886
2154METMETLYSLYSbT1 - 18861 - 1886
1155METMETLYSLYSaS1 - 18861 - 1886
2155METMETLYSLYScU1 - 18861 - 1886
1156METMETLYSLYSaS1 - 18861 - 1886
2156METMETLYSLYSdV1 - 18861 - 1886
1157METMETLYSLYSaS1 - 18861 - 1886
2157METMETLYSLYSeW1 - 18861 - 1886
1158METMETLYSLYSaS1 - 18861 - 1886
2158METMETLYSLYSfX1 - 18861 - 1886
1159METMETLYSLYSbT1 - 18861 - 1886
2159METMETLYSLYScU1 - 18861 - 1886
1160METMETLYSLYSbT1 - 18861 - 1886
2160METMETLYSLYSdV1 - 18861 - 1886
1161METMETLYSLYSbT1 - 18861 - 1886
2161METMETLYSLYSeW1 - 18861 - 1886
1162METMETLYSLYSbT1 - 18861 - 1886
2162METMETLYSLYSfX1 - 18861 - 1886
1163METMETLYSLYScU1 - 18861 - 1886
2163METMETLYSLYSdV1 - 18861 - 1886
1164METMETLYSLYScU1 - 18861 - 1886
2164METMETLYSLYSeW1 - 18861 - 1886
1165METMETLYSLYScU1 - 18861 - 1886
2165METMETLYSLYSfX1 - 18861 - 1886
1166METMETLYSLYSdV1 - 18861 - 1886
2166METMETLYSLYSeW1 - 18861 - 1886
1167METMETLYSLYSdV1 - 18861 - 1886
2167METMETLYSLYSfX1 - 18861 - 1886
1168METMETLYSLYSeW1 - 18861 - 1886
2168METMETLYSLYSfX1 - 18861 - 1886
1169SERSERGLNGLNgY5 - 20505 - 2050
2169SERSERGLNGLNhZ5 - 20505 - 2050
1170SERSERGLNGLNgY5 - 20505 - 2050
2170SERSERGLNGLNiAA5 - 20505 - 2050
1171SERSERGLNGLNgY5 - 20505 - 2050
2171SERSERGLNGLNjBA5 - 20505 - 2050
1172SERSERGLNGLNgY5 - 20505 - 2050
2172SERSERGLNGLNkCA5 - 20505 - 2050
1173SERSERGLNGLNgY5 - 20505 - 2050
2173SERSERGLNGLNlDA5 - 20505 - 2050
1174SERSERGLNGLNhZ5 - 20505 - 2050
2174SERSERGLNGLNiAA5 - 20505 - 2050
1175SERSERGLNGLNhZ5 - 20505 - 2050
2175SERSERGLNGLNjBA5 - 20505 - 2050
1176SERSERGLNGLNhZ5 - 20505 - 2050
2176SERSERGLNGLNkCA5 - 20505 - 2050
1177SERSERGLNGLNhZ5 - 20505 - 2050
2177SERSERGLNGLNlDA5 - 20505 - 2050
1178SERSERGLNGLNiAA5 - 20505 - 2050
2178SERSERGLNGLNjBA5 - 20505 - 2050
1179SERSERGLNGLNiAA5 - 20505 - 2050
2179SERSERGLNGLNkCA5 - 20505 - 2050
1180SERSERGLNGLNiAA5 - 20505 - 2050
2180SERSERGLNGLNlDA5 - 20505 - 2050
1181SERSERGLNGLNjBA5 - 20505 - 2050
2181SERSERGLNGLNkCA5 - 20505 - 2050
1182SERSERGLNGLNjBA5 - 20505 - 2050
2182SERSERGLNGLNlDA5 - 20505 - 2050
1183SERSERGLNGLNkCA5 - 20505 - 2050
2183SERSERGLNGLNlDA5 - 20505 - 2050
1184SERSERILEILEmEA3 - 1503 - 150
2184SERSERILEILEnFA3 - 1503 - 150
1185SERSERILEILEmEA3 - 1503 - 150
2185SERSERILEILEoGA3 - 1503 - 150
1186SERSERILEILEmEA3 - 1503 - 150
2186SERSERILEILEpHA3 - 1503 - 150
1187SERSERILEILEmEA3 - 1503 - 150
2187SERSERILEILEqIA3 - 1503 - 150
1188SERSERILEILEmEA3 - 1503 - 150
2188SERSERILEILErJA3 - 1503 - 150
1189SERSERILEILEnFA3 - 1503 - 150
2189SERSERILEILEoGA3 - 1503 - 150
1190SERSERILEILEnFA3 - 1503 - 150
2190SERSERILEILEpHA3 - 1503 - 150
1191SERSERILEILEnFA3 - 1503 - 150
2191SERSERILEILEqIA3 - 1503 - 150
1192SERSERILEILEnFA3 - 1503 - 150
2192SERSERILEILErJA3 - 1503 - 150
1193SERSERILEILEoGA3 - 1503 - 150
2193SERSERILEILEpHA3 - 1503 - 150
1194SERSERILEILEoGA3 - 1503 - 150
2194SERSERILEILEqIA3 - 1503 - 150
1195SERSERILEILEoGA3 - 1503 - 150
2195SERSERILEILErJA3 - 1503 - 150
1196SERSERILEILEpHA3 - 1503 - 150
2196SERSERILEILEqIA3 - 1503 - 150
1197SERSERILEILEpHA3 - 1503 - 150
2197SERSERILEILErJA3 - 1503 - 150
1198SERSERILEILEqIA3 - 1503 - 150
2198SERSERILEILErJA3 - 1503 - 150

NCS ensembles :
ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198

-
Components

#1: Protein
Fatty acid synthase subunit alpha


Mass: 207184.422 Da / Num. of mol.: 12 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c
References: UniProt: P19097, fatty-acyl-CoA synthase system, 3-oxoacyl-[acyl-carrier-protein] reductase, beta-ketoacyl-[acyl-carrier-protein] synthase I
#2: Protein
Fatty acid synthase subunit beta


Mass: 228940.375 Da / Num. of mol.: 12 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c
References: UniProt: P07149, fatty-acyl-CoA synthase system, 3-hydroxyacyl-[acyl-carrier-protein] dehydratase, enoyl-[acyl-carrier-protein] reductase (NADH), [acyl-carrier-protein] S- ...References: UniProt: P07149, fatty-acyl-CoA synthase system, 3-hydroxyacyl-[acyl-carrier-protein] dehydratase, enoyl-[acyl-carrier-protein] reductase (NADH), [acyl-carrier-protein] S-acetyltransferase, [acyl-carrier-protein] S-malonyltransferase, oleoyl-[acyl-carrier-protein] hydrolase
#3: Protein
Translation machinery-associated protein 17 / ATPase-dedicated chaperone of 17 kDa / ADC17


Mass: 16792.455 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / Gene: TMA17, YDL110C, D2320 / Production host: Escherichia coli (E. coli) / References: UniProt: Q12513

-
Experimental details

-
Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

-
Sample preparation

CrystalDensity Matthews: 3.9 Å3/Da / Density % sol: 68.45 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop / pH: 6.2
Details: 0.1 M MES pH 6.2, 0.15-0.3 M ammonium sulphate, 7-8% (w/v) PEG 8000

-
Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: PETRA III, EMBL c/o DESY / Beamline: P14 (MX2) / Wavelength: 0.976 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 6, 2018 / Details: CRL Transfocator
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.976 Å / Relative weight: 1
ReflectionResolution: 4.6→192.5 Å / Num. obs: 458021 / % possible obs: 99.51 % / Redundancy: 7.2 % / CC1/2: 0.998 / Rpim(I) all: 0.08786 / Net I/σ(I): 7.95
Reflection shellResolution: 4.6→4.7 Å / Redundancy: 7.4 % / Mean I/σ(I) obs: 0.87 / Num. unique obs: 45686 / CC1/2: 0.364 / Rpim(I) all: 0.8292 / % possible all: 99.71

-
Processing

Software
NameVersionClassification
REFMAC5.8.0238refinement
XDSdata reduction
Aimless0.7.3data scaling
MOLREP11.6.04phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 4.6→192.5 Å / Cor.coef. Fo:Fc: 0.902 / Cor.coef. Fo:Fc free: 0.879 / SU B: 149.24 / SU ML: 1.568 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 1.334
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
RfactorNum. reflection% reflectionSelection details
Rfree0.3098 22715 5 %RANDOM
Rwork0.2516 ---
obs0.2545 435383 99.6 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parametersBiso max: 891.56 Å2 / Biso mean: 242.41 Å2 / Biso min: 22.15 Å2
Baniso -1Baniso -2Baniso -3
1-3.08 Å20 Å20.08 Å2
2--6.1 Å2-0 Å2
3----8.93 Å2
Refinement stepCycle: final / Resolution: 4.6→192.5 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms231252 0 0 0 231252
Num. residues----46908
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0030.013374951
X-RAY DIFFRACTIONr_bond_other_d0.0010.017350450
X-RAY DIFFRACTIONr_angle_refined_deg1.2261.642507729
X-RAY DIFFRACTIONr_angle_other_deg1.1261.575816028
X-RAY DIFFRACTIONr_dihedral_angle_1_deg7.245546775
X-RAY DIFFRACTIONr_dihedral_angle_2_deg29.67923.54918360
X-RAY DIFFRACTIONr_dihedral_angle_3_deg12.9471566132
X-RAY DIFFRACTIONr_dihedral_angle_4_deg15.027151728
X-RAY DIFFRACTIONr_chiral_restr0.0450.249560
X-RAY DIFFRACTIONr_gen_planes_refined0.0030.02416705
X-RAY DIFFRACTIONr_gen_planes_other0.0010.0274495
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11A549280.01
12B549280.01
21A549490.01
22C549490.01
31A549430.01
32D549430.01
41A549470.01
42E549470.01
51A549350.02
52F549350.02
61A548820.02
62a548820.02
71A549290.01
72b549290.01
81A548990.02
82c548990.02
91A548930.02
92d548930.02
101A549180.02
102e549180.02
111A548950.02
112f548950.02
121B549400.01
122C549400.01
131B549340.02
132D549340.02
141B549320.02
142E549320.02
151B549360.02
152F549360.02
161B548860.02
162a548860.02
171B549160.02
172b549160.02
181B549150.02
182c549150.02
191B548930.02
192d548930.02
201B549050.02
202e549050.02
211B548990.02
212f548990.02
221C549480.01
222D549480.01
231C549450.01
232E549450.01
241C549460.02
242F549460.02
251C548930.02
252a548930.02
261C549240.02
262b549240.02
271C549160.02
272c549160.02
281C549110.02
282d549110.02
291C549290.02
292e549290.02
301C549140.02
302f549140.02
311D549400.01
312E549400.01
321D549500.01
322F549500.01
331D548790.02
332a548790.02
341D549440.02
342b549440.02
351D549050.02
352c549050.02
361D549000.02
362d549000.02
371D549130.02
372e549130.02
381D549140.02
382f549140.02
391E549320.01
392F549320.01
401E548840.02
402a548840.02
411E549230.01
412b549230.01
421E549080.02
422c549080.02
431E548980.02
432d548980.02
441E549190.02
442e549190.02
451E549050.02
452f549050.02
461F548710.02
462a548710.02
471F549290.02
472b549290.02
481F549080.02
482c549080.02
491F548960.02
492d548960.02
501F549200.02
502e549200.02
511F548970.02
512f548970.02
521G634820
522H634820
531G634700.01
532I634700.01
541G634920
542J634920
551G634870
552K634870
561G634870
562L634870
571G634850
572g634850
581G634870
582h634870
591G634840
592i634840
601G634920
602j634920
611G634840
612k634840
621G634800
622l634800
631H634740.01
632I634740.01
641H634850
642J634850
651H634810
652K634810
661H634860
662L634860
671H634940
672g634940
681H634880
682h634880
691H634960
692i634960
701H634960
702j634960
711H634770
712k634770
721H634800
722l634800
731I634800.01
732J634800.01
741I634700.01
742K634700.01
751I634730.01
752L634730.01
761I634900.01
762g634900.01
771I634680.01
772h634680.01
781I634790.01
782i634790.01
791I634870.01
792j634870.01
801I634730.01
802k634730.01
811I634690.01
812l634690.01
821J634940
822K634940
831J634950
832L634950
841J635010
842g635010
851J634940
852h634940
861J635060
862i635060
871J634990
872j634990
881J634740
882k634740
891J635080
892l635080
901K634860
902L634860
911K634800
912g634800
921K634870
922h634870
931K634880
932i634880
941K634860
942j634860
951K634840
952k634840
961K634770
962l634770
971L634900
972g634900
981L634800
982h634800
991L634890
992i634890
1001L634920
1002j634920
1011L634870
1012k634870
1021L634790
1022l634790
1031M33550
1032N33550
1041M33510
1042O33510
1051M33520
1052P33520
1061M33540
1062Q33540
1071M33550
1072R33550
1081M33540
1082m33540
1091M33540
1092n33540
1101M33540
1102o33540
1111M33540
1112p33540
1121M33540
1122q33540
1131M33530
1132r33530
1141N33520
1142O33520
1151N33530
1152P33530
1161N33550
1162Q33550
1171N33560
1172R33560
1181N33550
1182m33550
1191N33550
1192n33550
1201N33560
1202o33560
1211N33550
1212p33550
1221N33550
1222q33550
1231N33530
1232r33530
1241O33510
1242P33510
1251O33520
1252Q33520
1261O33520
1262R33520
1271O33530
1272m33530
1281O33530
1282n33530
1291O33520
1292o33520
1301O33530
1302p33530
1311O33510
1312q33510
1321O33510
1322r33510
1331P33530
1332Q33530
1341P33540
1342R33540
1351P33520
1352m33520
1361P33530
1362n33530
1371P33530
1372o33530
1381P33520
1382p33520
1391P33520
1392q33520
1401P33520
1402r33520
1411Q33550
1412R33550
1421Q33540
1422m33540
1431Q33550
1432n33550
1441Q33540
1442o33540
1451Q33540
1452p33540
1461Q33540
1462q33540
1471Q33530
1472r33530
1481R33550
1482m33550
1491R33550
1492n33550
1501R33560
1502o33560
1511R33550
1512p33550
1521R33550
1522q33550
1531R33530
1532r33530
1541a548740.02
1542b548740.02
1551a548610.02
1552c548610.02
1561a548690.02
1562d548690.02
1571a548900.02
1572e548900.02
1581a548530.02
1582f548530.02
1591b549160.02
1592c549160.02
1601b548930.02
1602d548930.02
1611b549150.02
1612e549150.02
1621b549070.02
1622f549070.02
1631c549520.02
1632d549520.02
1641c549600.02
1642e549600.02
1651c549250.02
1652f549250.02
1661d549640.02
1662e549640.02
1671d549320.02
1672f549320.02
1681e549370.02
1682f549370.02
1691g634780
1692h634780
1701g634960
1702i634960
1711g634890
1712j634890
1721g634770
1722k634770
1731g634860
1732l634860
1741h634950
1742i634950
1751h634910
1752j634910
1761h634760
1762k634760
1771h634740
1772l634740
1781i634910
1782j634910
1791i634810
1792k634810
1801i634790
1802l634790
1811j634830
1812k634830
1821j634810
1822l634810
1831k634670
1832l634670
1841m33550
1842n33550
1851m33560
1852o33560
1861m33560
1862p33560
1871m33540
1872q33540
1881m33520
1882r33520
1891n33550
1892o33550
1901n33550
1902p33550
1911n33540
1912q33540
1921n33530
1922r33530
1931o33550
1932p33550
1941o33540
1942q33540
1951o33520
1952r33520
1961p33540
1962q33540
1971p33520
1972r33520
1981q33520
1982r33520
LS refinement shellResolution: 4.6→4.719 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.375 1667 -
Rwork0.374 32216 -
all-33883 -
obs--99.73 %

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