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- PDB-5lox: Helical Assembly of the Anbu Complex from Pseudomonas aeruginosa -

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Basic information

Entry
Database: PDB / ID: 5lox
TitleHelical Assembly of the Anbu Complex from Pseudomonas aeruginosa
ComponentsPeptidase
KeywordsHYDROLASE / Protein Degradation / Ancestral Beta Subunit / Proteasome Precursor
Function / homologyUncharacterised conserved protein UCP009120, proteasome-type protease, Sll0069 / proteasome core complex / Proteasome subunit / Proteasome, subunit alpha/beta / Nucleophile aminohydrolases, N-terminal / proteolysis involved in protein catabolic process / Peptidase
Function and homology information
Biological speciesPseudomonas aeruginosa (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.9 Å
AuthorsFuchs, A.C.D. / Albrecht, R. / Martin, J. / Hartmann, M.D.
CitationJournal: Structure / Year: 2017
Title: The Architecture of the Anbu Complex Reflects an Evolutionary Intermediate at the Origin of the Proteasome System.
Authors: Fuchs, A.C.D. / Alva, V. / Maldoner, L. / Albrecht, R. / Hartmann, M.D. / Martin, J.
History
DepositionAug 10, 2016Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 7, 2017Provider: repository / Type: Initial release
Revision 1.1Jun 14, 2017Group: Database references / Category: citation
Item: _citation.country / _citation.journal_id_ASTM ..._citation.country / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_volume / _citation.page_first / _citation.page_last

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Structure visualization

Structure viewerMolecule:
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Assembly

Deposited unit
A: Peptidase
B: Peptidase
C: Peptidase
D: Peptidase
E: Peptidase
F: Peptidase
G: Peptidase
H: Peptidase
I: Peptidase
J: Peptidase
K: Peptidase
L: Peptidase
M: Peptidase
N: Peptidase
O: Peptidase
P: Peptidase
Q: Peptidase
R: Peptidase
S: Peptidase
T: Peptidase
U: Peptidase
V: Peptidase
W: Peptidase
X: Peptidase
Y: Peptidase
Z: Peptidase
1: Peptidase
2: Peptidase
3: Peptidase
4: Peptidase
5: Peptidase
6: Peptidase
7: Peptidase
8: Peptidase


Theoretical massNumber of molelcules
Total (without water)906,01034
Polymers906,01034
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area138610 Å2
ΔGint-664 kcal/mol
Surface area292570 Å2
MethodPISA
Unit cell
Length a, b, c (Å)150.070, 230.080, 171.720
Angle α, β, γ (deg.)90.00, 108.39, 90.00
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
26G
17A
27H
18A
28I
19A
29J
110A
210K
111A
211L
112A
212M
113A
213N
114A
214O
115A
215P
116A
216Q
117A
217R
118A
218S
119A
219T
120A
220U
121A
221V
122A
222W
123A
223X
124A
224Y
125A
225Z
126A
2261
127A
2272
128A
2283
129A
2294
130A
2305
131A
2316
132A
2327
133A
2338
134B
234C
135B
235D
136B
236E
137B
237F
138B
238G
139B
239H
140B
240I
141B
241J
142B
242K
143B
243L
144B
244M
145B
245N
146B
246O
147B
247P
148B
248Q
149B
249R
150B
250S
151B
251T
152B
252U
153B
253V
154B
254W
155B
255X
156B
256Y
157B
257Z
158B
2581
159B
2592
160B
2603
161B
2614
162B
2625
163B
2636
164B
2647
165B
2658
166C
266D
167C
267E
168C
268F
169C
269G
170C
270H
171C
271I
172C
272J
173C
273K
174C
274L
175C
275M
176C
276N
177C
277O
178C
278P
179C
279Q
180C
280R
181C
281S
182C
282T
183C
283U
184C
284V
185C
285W
186C
286X
187C
287Y
188C
288Z
189C
2891
190C
2902
191C
2913
192C
2924
193C
2935
194C
2946
195C
2957
196C
2968
197D
297E
198D
298F
199D
299G
1100D
2100H
1101D
2101I
1102D
2102J
1103D
2103K
1104D
2104L
1105D
2105M
1106D
2106N
1107D
2107O
1108D
2108P
1109D
2109Q
1110D
2110R
1111D
2111S
1112D
2112T
1113D
2113U
1114D
2114V
1115D
2115W
1116D
2116X
1117D
2117Y
1118D
2118Z
1119D
21191
1120D
21202
1121D
21213
1122D
21224
1123D
21235
1124D
21246
1125D
21257
1126D
21268
1127E
2127F
1128E
2128G
1129E
2129H
1130E
2130I
1131E
2131J
1132E
2132K
1133E
2133L
1134E
2134M
1135E
2135N
1136E
2136O
1137E
2137P
1138E
2138Q
1139E
2139R
1140E
2140S
1141E
2141T
1142E
2142U
1143E
2143V
1144E
2144W
1145E
2145X
1146E
2146Y
1147E
2147Z
1148E
21481
1149E
21492
1150E
21503
1151E
21514
1152E
21525
1153E
21536
1154E
21547
1155E
21558
1156F
2156G
1157F
2157H
1158F
2158I
1159F
2159J
1160F
2160K
1161F
2161L
1162F
2162M
1163F
2163N
1164F
2164O
1165F
2165P
1166F
2166Q
1167F
2167R
1168F
2168S
1169F
2169T
1170F
2170U
1171F
2171V
1172F
2172W
1173F
2173X
1174F
2174Y
1175F
2175Z
1176F
21761
1177F
21772
1178F
21783
1179F
21794
1180F
21805
1181F
21816
1182F
21827
1183F
21838
1184G
2184H
1185G
2185I
1186G
2186J
1187G
2187K
1188G
2188L
1189G
2189M
1190G
2190N
1191G
2191O
1192G
2192P
1193G
2193Q
1194G
2194R
1195G
2195S
1196G
2196T
1197G
2197U
1198G
2198V
1199G
2199W
1200G
2200X
1201G
2201Y
1202G
2202Z
1203G
22031
1204G
22042
1205G
22053
1206G
22064
1207G
22075
1208G
22086
1209G
22097
1210G
22108
1211H
2211I
1212H
2212J
1213H
2213K
1214H
2214L
1215H
2215M
1216H
2216N
1217H
2217O
1218H
2218P
1219H
2219Q
1220H
2220R
1221H
2221S
1222H
2222T
1223H
2223U
1224H
2224V
1225H
2225W
1226H
2226X
1227H
2227Y
1228H
2228Z
1229H
22291
1230H
22302
1231H
22313
1232H
22324
1233H
22335
1234H
22346
1235H
22357
1236H
22368
1237I
2237J
1238I
2238K
1239I
2239L
1240I
2240M
1241I
2241N
1242I
2242O
1243I
2243P
1244I
2244Q
1245I
2245R
1246I
2246S
1247I
2247T
1248I
2248U
1249I
2249V
1250I
2250W
1251I
2251X
1252I
2252Y
1253I
2253Z
1254I
22541
1255I
22552
1256I
22563
1257I
22574
1258I
22585
1259I
22596
1260I
22607
1261I
22618
1262J
2262K
1263J
2263L
1264J
2264M
1265J
2265N
1266J
2266O
1267J
2267P
1268J
2268Q
1269J
2269R
1270J
2270S
1271J
2271T
1272J
2272U
1273J
2273V
1274J
2274W
1275J
2275X
1276J
2276Y
1277J
2277Z
1278J
22781
1279J
22792
1280J
22803
1281J
22814
1282J
22825
1283J
22836
1284J
22847
1285J
22858
1286K
2286L
1287K
2287M
1288K
2288N
1289K
2289O
1290K
2290P
1291K
2291Q
1292K
2292R
1293K
2293S
1294K
2294T
1295K
2295U
1296K
2296V
1297K
2297W
1298K
2298X
1299K
2299Y
1300K
2300Z
1301K
23011
1302K
23022
1303K
23033
1304K
23044
1305K
23055
1306K
23066
1307K
23077
1308K
23088
1309L
2309M
1310L
2310N
1311L
2311O
1312L
2312P
1313L
2313Q
1314L
2314R
1315L
2315S
1316L
2316T
1317L
2317U
1318L
2318V
1319L
2319W
1320L
2320X
1321L
2321Y
1322L
2322Z
1323L
23231
1324L
23242
1325L
23253
1326L
23264
1327L
23275
1328L
23286
1329L
23297
1330L
23308
1331M
2331N
1332M
2332O
1333M
2333P
1334M
2334Q
1335M
2335R
1336M
2336S
1337M
2337T
1338M
2338U
1339M
2339V
1340M
2340W
1341M
2341X
1342M
2342Y
1343M
2343Z
1344M
23441
1345M
23452
1346M
23463
1347M
23474
1348M
23485
1349M
23496
1350M
23507
1351M
23518
1352N
2352O
1353N
2353P
1354N
2354Q
1355N
2355R
1356N
2356S
1357N
2357T
1358N
2358U
1359N
2359V
1360N
2360W
1361N
2361X
1362N
2362Y
1363N
2363Z
1364N
23641
1365N
23652
1366N
23663
1367N
23674
1368N
23685
1369N
23696
1370N
23707
1371N
23718
1372O
2372P
1373O
2373Q
1374O
2374R
1375O
2375S
1376O
2376T
1377O
2377U
1378O
2378V
1379O
2379W
1380O
2380X
1381O
2381Y
1382O
2382Z
1383O
23831
1384O
23842
1385O
23853
1386O
23864
1387O
23875
1388O
23886
1389O
23897
1390O
23908
1391P
2391Q
1392P
2392R
1393P
2393S
1394P
2394T
1395P
2395U
1396P
2396V
1397P
2397W
1398P
2398X
1399P
2399Y
1400P
2400Z
1401P
24011
1402P
24022
1403P
24033
1404P
24044
1405P
24055
1406P
24066
1407P
24077
1408P
24088
1409Q
2409R
1410Q
2410S
1411Q
2411T
1412Q
2412U
1413Q
2413V
1414Q
2414W
1415Q
2415X
1416Q
2416Y
1417Q
2417Z
1418Q
24181
1419Q
24192
1420Q
24203
1421Q
24214
1422Q
24225
1423Q
24236
1424Q
24247
1425Q
24258
1426R
2426S
1427R
2427T
1428R
2428U
1429R
2429V
1430R
2430W
1431R
2431X
1432R
2432Y
1433R
2433Z
1434R
24341
1435R
24352
1436R
24363
1437R
24374
1438R
24385
1439R
24396
1440R
24407
1441R
24418
1442S
2442T
1443S
2443U
1444S
2444V
1445S
2445W
1446S
2446X
1447S
2447Y
1448S
2448Z
1449S
24491
1450S
24502
1451S
24513
1452S
24524
1453S
24535
1454S
24546
1455S
24557
1456S
24568
1457T
2457U
1458T
2458V
1459T
2459W
1460T
2460X
1461T
2461Y
1462T
2462Z
1463T
24631
1464T
24642
1465T
24653
1466T
24664
1467T
24675
1468T
24686
1469T
24697
1470T
24708
1471U
2471V
1472U
2472W
1473U
2473X
1474U
2474Y
1475U
2475Z
1476U
24761
1477U
24772
1478U
24783
1479U
24794
1480U
24805
1481U
24816
1482U
24827
1483U
24838
1484V
2484W
1485V
2485X
1486V
2486Y
1487V
2487Z
1488V
24881
1489V
24892
1490V
24903
1491V
24914
1492V
24925
1493V
24936
1494V
24947
1495V
24958
1496W
2496X
1497W
2497Y
1498W
2498Z
1499W
24991
1500W
25002
1501W
25013
1502W
25024
1503W
25035
1504W
25046
1505W
25057
1506W
25068
1507X
2507Y
1508X
2508Z
1509X
25091
1510X
25102
1511X
25113
1512X
25124
1513X
25135
1514X
25146
1515X
25157
1516X
25168
1517Y
2517Z
1518Y
25181
1519Y
25192
1520Y
25203
1521Y
25214
1522Y
25225
1523Y
25236
1524Y
25247
1525Y
25258
1526Z
25261
1527Z
25272
1528Z
25283
1529Z
25294
1530Z
25305
1531Z
25316
1532Z
25327
1533Z
25338
15341
25342
15351
25353
15361
25364
15371
25375
15381
25386
15391
25397
15401
25408
15412
25413
15422
25424
15432
25435
15442
25446
15452
25457
15462
25468
15473
25474
15483
25485
15493
25496
15503
25507
15513
25518
15524
25525
15534
25536
15544
25547
15554
25558
15565
25566
15575
25577
15585
25588
15596
25597
15606
25608
15617
25618

NCS domain segments:
Dom-IDComponent-IDEns-IDRefine codeAuth asym-IDAuth seq-ID
1010A1 - 241
2010B1 - 241
1020A1 - 241
2020C1 - 241
1030A1 - 241
2030D1 - 241
1040A1 - 241
2040E1 - 241
1050A1 - 241
2050F1 - 241
1060A1 - 241
2060G1 - 241
1070A1 - 241
2070H1 - 241
1080A1 - 241
2080I1 - 241
1090A1 - 241
2090J1 - 241
10100A1 - 241
20100K1 - 241
10110A1 - 241
20110L1 - 241
10120A1 - 241
20120M1 - 241
10130A1 - 241
20130N1 - 241
10140A1 - 241
20140O1 - 241
10150A1 - 241
20150P1 - 241
10160A1 - 241
20160Q1 - 241
10170A1 - 241
20170R1 - 241
10180A1 - 241
20180S1 - 241
10190A1 - 241
20190T1 - 241
10200A1 - 241
20200U1 - 241
10210A1 - 241
20210V1 - 241
10220A1 - 241
20220W1 - 241
10230A1 - 241
20230X1 - 241
10240A1 - 241
20240Y1 - 241
10250A1 - 241
20250Z1 - 241
10260A1 - 241
2026011 - 241
10270A1 - 241
2027021 - 241
10280A1 - 241
2028031 - 241
10290A1 - 241
2029041 - 241
10300A1 - 241
2030051 - 241
10310A1 - 241
2031061 - 241
10320A1 - 241
2032071 - 241
10330A1 - 241
2033081 - 241
10340B1 - 241
20340C1 - 241
10350B1 - 241
20350D1 - 241
10360B1 - 241
20360E1 - 241
10370B1 - 241
20370F1 - 241
10380B1 - 241
20380G1 - 241
10390B1 - 241
20390H1 - 241
10400B1 - 241
20400I1 - 241
10410B1 - 241
20410J1 - 241
10420B1 - 241
20420K1 - 241
10430B1 - 241
20430L1 - 241
10440B1 - 241
20440M1 - 241
10450B1 - 241
20450N1 - 241
10460B1 - 241
20460O1 - 241
10470B1 - 241
20470P1 - 241
10480B1 - 241
20480Q1 - 241
10490B1 - 241
20490R1 - 241
10500B1 - 241
20500S1 - 241
10510B1 - 241
20510T1 - 241
10520B1 - 241
20520U1 - 241
10530B1 - 241
20530V1 - 241
10540B1 - 241
20540W1 - 241
10550B1 - 241
20550X1 - 241
10560B1 - 241
20560Y1 - 241
10570B1 - 241
20570Z1 - 241
10580B1 - 241
2058011 - 241
10590B1 - 241
2059021 - 241
10600B1 - 241
2060031 - 241
10610B1 - 241
2061041 - 241
10620B1 - 241
2062051 - 241
10630B1 - 241
2063061 - 241
10640B1 - 241
2064071 - 241
10650B1 - 241
2065081 - 241
10660C1 - 241
20660D1 - 241
10670C1 - 241
20670E1 - 241
10680C1 - 241
20680F1 - 241
10690C1 - 241
20690G1 - 241
10700C1 - 241
20700H1 - 241
10710C1 - 241
20710I1 - 241
10720C1 - 241
20720J1 - 241
10730C1 - 241
20730K1 - 241
10740C1 - 241
20740L1 - 241
10750C1 - 241
20750M1 - 241
10760C1 - 241
20760N1 - 241
10770C1 - 241
20770O1 - 241
10780C1 - 241
20780P1 - 241
10790C1 - 241
20790Q1 - 241
10800C1 - 241
20800R1 - 241
10810C1 - 241
20810S1 - 241
10820C1 - 241
20820T1 - 241
10830C1 - 241
20830U1 - 241
10840C1 - 241
20840V1 - 241
10850C1 - 241
20850W1 - 241
10860C1 - 241
20860X1 - 241
10870C1 - 241
20870Y1 - 241
10880C1 - 241
20880Z1 - 241
10890C1 - 241
2089011 - 241
10900C1 - 241
2090021 - 241
10910C1 - 241
2091031 - 241
10920C1 - 241
2092041 - 241
10930C1 - 241
2093051 - 241
10940C1 - 241
2094061 - 241
10950C1 - 241
2095071 - 241
10960C1 - 241
2096081 - 241
10970D1 - 241
20970E1 - 241
10980D1 - 241
20980F1 - 241
10990D1 - 241
20990G1 - 241
101000D1 - 241
201000H1 - 241
101010D1 - 241
201010I1 - 241
101020D1 - 241
201020J1 - 241
101030D1 - 241
201030K1 - 241
101040D1 - 241
201040L1 - 241
101050D1 - 241
201050M1 - 241
101060D1 - 241
201060N1 - 241
101070D1 - 241
201070O1 - 241
101080D1 - 241
201080P1 - 241
101090D1 - 241
201090Q1 - 241
101100D1 - 241
201100R1 - 241
101110D1 - 241
201110S1 - 241
101120D1 - 241
201120T1 - 241
101130D1 - 241
201130U1 - 241
101140D1 - 241
201140V1 - 241
101150D1 - 241
201150W1 - 241
101160D1 - 241
201160X1 - 241
101170D1 - 241
201170Y1 - 241
101180D1 - 241
201180Z1 - 241
101190D1 - 241
20119011 - 241
101200D1 - 241
20120021 - 241
101210D1 - 241
20121031 - 241
101220D1 - 241
20122041 - 241
101230D1 - 241
20123051 - 241
101240D1 - 241
20124061 - 241
101250D1 - 241
20125071 - 241
101260D1 - 241
20126081 - 241
101270E1 - 241
201270F1 - 241
101280E1 - 241
201280G1 - 241
101290E1 - 241
201290H1 - 241
101300E1 - 241
201300I1 - 241
101310E1 - 241
201310J1 - 241
101320E1 - 241
201320K1 - 241
101330E1 - 241
201330L1 - 241
101340E1 - 241
201340M1 - 241
101350E1 - 241
201350N1 - 241
101360E1 - 241
201360O1 - 241
101370E1 - 241
201370P1 - 241
101380E1 - 241
201380Q1 - 241
101390E1 - 241
201390R1 - 241
101400E1 - 241
201400S1 - 241
101410E1 - 241
201410T1 - 241
101420E1 - 241
201420U1 - 241
101430E1 - 241
201430V1 - 241
101440E1 - 241
201440W1 - 241
101450E1 - 241
201450X1 - 241
101460E1 - 241
201460Y1 - 241
101470E1 - 241
201470Z1 - 241
101480E1 - 241
20148011 - 241
101490E1 - 241
20149021 - 241
101500E1 - 241
20150031 - 241
101510E1 - 241
20151041 - 241
101520E1 - 241
20152051 - 241
101530E1 - 241
20153061 - 241
101540E1 - 241
20154071 - 241
101550E1 - 241
20155081 - 241
101560F1 - 241
201560G1 - 241
101570F1 - 241
201570H1 - 241
101580F1 - 241
201580I1 - 241
101590F1 - 241
201590J1 - 241
101600F1 - 241
201600K1 - 241
101610F1 - 241
201610L1 - 241
101620F1 - 241
201620M1 - 241
101630F1 - 241
201630N1 - 241
101640F1 - 241
201640O1 - 241
101650F1 - 241
201650P1 - 241
101660F1 - 241
201660Q1 - 241
101670F1 - 241
201670R1 - 241
101680F1 - 241
201680S1 - 241
101690F1 - 241
201690T1 - 241
101700F1 - 241
201700U1 - 241
101710F1 - 241
201710V1 - 241
101720F1 - 241
201720W1 - 241
101730F1 - 241
201730X1 - 241
101740F1 - 241
201740Y1 - 241
101750F1 - 241
201750Z1 - 241
101760F1 - 241
20176011 - 241
101770F1 - 241
20177021 - 241
101780F1 - 241
20178031 - 241
101790F1 - 241
20179041 - 241
101800F1 - 241
20180051 - 241
101810F1 - 241
20181061 - 241
101820F1 - 241
20182071 - 241
101830F1 - 241
20183081 - 241
101840G1 - 241
201840H1 - 241
101850G1 - 241
201850I1 - 241
101860G1 - 241
201860J1 - 241
101870G1 - 241
201870K1 - 241
101880G1 - 241
201880L1 - 241
101890G1 - 241
201890M1 - 241
101900G1 - 241
201900N1 - 241
101910G1 - 241
201910O1 - 241
101920G1 - 241
201920P1 - 241
101930G1 - 241
201930Q1 - 241
101940G1 - 241
201940R1 - 241
101950G1 - 241
201950S1 - 241
101960G1 - 241
201960T1 - 241
101970G1 - 241
201970U1 - 241
101980G1 - 241
201980V1 - 241
101990G1 - 241
201990W1 - 241
102000G1 - 241
202000X1 - 241
102010G1 - 241
202010Y1 - 241
102020G1 - 241
202020Z1 - 241
102030G1 - 241
20203011 - 241
102040G1 - 241
20204021 - 241
102050G1 - 241
20205031 - 241
102060G1 - 241
20206041 - 241
102070G1 - 241
20207051 - 241
102080G1 - 241
20208061 - 241
102090G1 - 241
20209071 - 241
102100G1 - 241
20210081 - 241
102110H1 - 241
202110I1 - 241
102120H1 - 241
202120J1 - 241
102130H1 - 241
202130K1 - 241
102140H1 - 241
202140L1 - 241
102150H1 - 241
202150M1 - 241
102160H1 - 241
202160N1 - 241
102170H1 - 241
202170O1 - 241
102180H1 - 241
202180P1 - 241
102190H1 - 241
202190Q1 - 241
102200H1 - 241
202200R1 - 241
102210H1 - 241
202210S1 - 241
102220H1 - 241
202220T1 - 241
102230H1 - 241
202230U1 - 241
102240H1 - 241
202240V1 - 241
102250H1 - 241
202250W1 - 241
102260H1 - 241
202260X1 - 241
102270H1 - 241
202270Y1 - 241
102280H1 - 241
202280Z1 - 241
102290H1 - 241
20229011 - 241
102300H1 - 241
20230021 - 241
102310H1 - 241
20231031 - 241
102320H1 - 241
20232041 - 241
102330H1 - 241
20233051 - 241
102340H1 - 241
20234061 - 241
102350H1 - 241
20235071 - 241
102360H1 - 241
20236081 - 241
102370I1 - 241
202370J1 - 241
102380I1 - 241
202380K1 - 241
102390I1 - 241
202390L1 - 241
102400I1 - 241
202400M1 - 241
102410I1 - 241
202410N1 - 241
102420I1 - 241
202420O1 - 241
102430I1 - 241
202430P1 - 241
102440I1 - 241
202440Q1 - 241
102450I1 - 241
202450R1 - 241
102460I1 - 241
202460S1 - 241
102470I1 - 241
202470T1 - 241
102480I1 - 241
202480U1 - 241
102490I1 - 241
202490V1 - 241
102500I1 - 241
202500W1 - 241
102510I1 - 241
202510X1 - 241
102520I1 - 241
202520Y1 - 241
102530I1 - 241
202530Z1 - 241
102540I1 - 241
20254011 - 241
102550I1 - 241
20255021 - 241
102560I1 - 241
20256031 - 241
102570I1 - 241
20257041 - 241
102580I1 - 241
20258051 - 241
102590I1 - 241
20259061 - 241
102600I1 - 241
20260071 - 241
102610I1 - 241
20261081 - 241
102620J1 - 241
202620K1 - 241
102630J1 - 241
202630L1 - 241
102640J1 - 241
202640M1 - 241
102650J1 - 241
202650N1 - 241
102660J1 - 241
202660O1 - 241
102670J1 - 241
202670P1 - 241
102680J1 - 241
202680Q1 - 241
102690J1 - 241
202690R1 - 241
102700J1 - 241
202700S1 - 241
102710J1 - 241
202710T1 - 241
102720J1 - 241
202720U1 - 241
102730J1 - 241
202730V1 - 241
102740J1 - 241
202740W1 - 241
102750J1 - 241
202750X1 - 241
102760J1 - 241
202760Y1 - 241
102770J1 - 241
202770Z1 - 241
102780J1 - 241
20278011 - 241
102790J1 - 241
20279021 - 241
102800J1 - 241
20280031 - 241
102810J1 - 241
20281041 - 241
102820J1 - 241
20282051 - 241
102830J1 - 241
20283061 - 241
102840J1 - 241
20284071 - 241
102850J1 - 241
20285081 - 241
102860K1 - 241
202860L1 - 241
102870K1 - 241
202870M1 - 241
102880K1 - 241
202880N1 - 241
102890K1 - 241
202890O1 - 241
102900K1 - 241
202900P1 - 241
102910K1 - 241
202910Q1 - 241
102920K1 - 241
202920R1 - 241
102930K1 - 241
202930S1 - 241
102940K1 - 241
202940T1 - 241
102950K1 - 241
202950U1 - 241
102960K1 - 241
202960V1 - 241
102970K1 - 241
202970W1 - 241
102980K1 - 241
202980X1 - 241
102990K1 - 241
202990Y1 - 241
103000K1 - 241
203000Z1 - 241
103010K1 - 241
20301011 - 241
103020K1 - 241
20302021 - 241
103030K1 - 241
20303031 - 241
103040K1 - 241
20304041 - 241
103050K1 - 241
20305051 - 241
103060K1 - 241
20306061 - 241
103070K1 - 241
20307071 - 241
103080K1 - 241
20308081 - 241
103090L1 - 241
203090M1 - 241
103100L1 - 241
203100N1 - 241
103110L1 - 241
203110O1 - 241
103120L1 - 241
203120P1 - 241
103130L1 - 241
203130Q1 - 241
103140L1 - 241
203140R1 - 241
103150L1 - 241
203150S1 - 241
103160L1 - 241
203160T1 - 241
103170L1 - 241
203170U1 - 241
103180L1 - 241
203180V1 - 241
103190L1 - 241
203190W1 - 241
103200L1 - 241
203200X1 - 241
103210L1 - 241
203210Y1 - 241
103220L1 - 241
203220Z1 - 241
103230L1 - 241
20323011 - 241
103240L1 - 241
20324021 - 241
103250L1 - 241
20325031 - 241
103260L1 - 241
20326041 - 241
103270L1 - 241
20327051 - 241
103280L1 - 241
20328061 - 241
103290L1 - 241
20329071 - 241
103300L1 - 241
20330081 - 241
103310M1 - 241
203310N1 - 241
103320M1 - 241
203320O1 - 241
103330M1 - 241
203330P1 - 241
103340M1 - 241
203340Q1 - 241
103350M1 - 241
203350R1 - 241
103360M1 - 241
203360S1 - 241
103370M1 - 241
203370T1 - 241
103380M1 - 241
203380U1 - 241
103390M1 - 241
203390V1 - 241
103400M1 - 241
203400W1 - 241
103410M1 - 241
203410X1 - 241
103420M1 - 241
203420Y1 - 241
103430M1 - 241
203430Z1 - 241
103440M1 - 241
20344011 - 241
103450M1 - 241
20345021 - 241
103460M1 - 241
20346031 - 241
103470M1 - 241
20347041 - 241
103480M1 - 241
20348051 - 241
103490M1 - 241
20349061 - 241
103500M1 - 241
20350071 - 241
103510M1 - 241
20351081 - 241
103520N1 - 241
203520O1 - 241
103530N1 - 241
203530P1 - 241
103540N1 - 241
203540Q1 - 241
103550N1 - 241
203550R1 - 241
103560N1 - 241
203560S1 - 241
103570N1 - 241
203570T1 - 241
103580N1 - 241
203580U1 - 241
103590N1 - 241
203590V1 - 241
103600N1 - 241
203600W1 - 241
103610N1 - 241
203610X1 - 241
103620N1 - 241
203620Y1 - 241
103630N1 - 241
203630Z1 - 241
103640N1 - 241
20364011 - 241
103650N1 - 241
20365021 - 241
103660N1 - 241
20366031 - 241
103670N1 - 241
20367041 - 241
103680N1 - 241
20368051 - 241
103690N1 - 241
20369061 - 241
103700N1 - 241
20370071 - 241
103710N1 - 241
20371081 - 241
103720O1 - 241
203720P1 - 241
103730O1 - 241
203730Q1 - 241
103740O1 - 241
203740R1 - 241
103750O1 - 241
203750S1 - 241
103760O1 - 241
203760T1 - 241
103770O1 - 241
203770U1 - 241
103780O1 - 241
203780V1 - 241
103790O1 - 241
203790W1 - 241
103800O1 - 241
203800X1 - 241
103810O1 - 241
203810Y1 - 241
103820O1 - 241
203820Z1 - 241
103830O1 - 241
20383011 - 241
103840O1 - 241
20384021 - 241
103850O1 - 241
20385031 - 241
103860O1 - 241
20386041 - 241
103870O1 - 241
20387051 - 241
103880O1 - 241
20388061 - 241
103890O1 - 241
20389071 - 241
103900O1 - 241
20390081 - 241
103910P1 - 241
203910Q1 - 241
103920P1 - 241
203920R1 - 241
103930P1 - 241
203930S1 - 241
103940P1 - 241
203940T1 - 241
103950P1 - 241
203950U1 - 241
103960P1 - 241
203960V1 - 241
103970P1 - 241
203970W1 - 241
103980P1 - 241
203980X1 - 241
103990P1 - 241
203990Y1 - 241
104000P1 - 241
204000Z1 - 241
104010P1 - 241
20401011 - 241
104020P1 - 241
20402021 - 241
104030P1 - 241
20403031 - 241
104040P1 - 241
20404041 - 241
104050P1 - 241
20405051 - 241
104060P1 - 241
20406061 - 241
104070P1 - 241
20407071 - 241
104080P1 - 241
20408081 - 241
104090Q1 - 241
204090R1 - 241
104100Q1 - 241
204100S1 - 241
104110Q1 - 241
204110T1 - 241
104120Q1 - 241
204120U1 - 241
104130Q1 - 241
204130V1 - 241
104140Q1 - 241
204140W1 - 241
104150Q1 - 241
204150X1 - 241
104160Q1 - 241
204160Y1 - 241
104170Q1 - 241
204170Z1 - 241
104180Q1 - 241
20418011 - 241
104190Q1 - 241
20419021 - 241
104200Q1 - 241
20420031 - 241
104210Q1 - 241
20421041 - 241
104220Q1 - 241
20422051 - 241
104230Q1 - 241
20423061 - 241
104240Q1 - 241
20424071 - 241
104250Q1 - 241
20425081 - 241
104260R1 - 241
204260S1 - 241
104270R1 - 241
204270T1 - 241
104280R1 - 241
204280U1 - 241
104290R1 - 241
204290V1 - 241
104300R1 - 241
204300W1 - 241
104310R1 - 241
204310X1 - 241
104320R1 - 241
204320Y1 - 241
104330R1 - 241
204330Z1 - 241
104340R1 - 241
20434011 - 241
104350R1 - 241
20435021 - 241
104360R1 - 241
20436031 - 241
104370R1 - 241
20437041 - 241
104380R1 - 241
20438051 - 241
104390R1 - 241
20439061 - 241
104400R1 - 241
20440071 - 241
104410R1 - 241
20441081 - 241
104420S1 - 241
204420T1 - 241
104430S1 - 241
204430U1 - 241
104440S1 - 241
204440V1 - 241
104450S1 - 241
204450W1 - 241
104460S1 - 241
204460X1 - 241
104470S1 - 241
204470Y1 - 241
104480S1 - 241
204480Z1 - 241
104490S1 - 241
20449011 - 241
104500S1 - 241
20450021 - 241
104510S1 - 241
20451031 - 241
104520S1 - 241
20452041 - 241
104530S1 - 241
20453051 - 241
104540S1 - 241
20454061 - 241
104550S1 - 241
20455071 - 241
104560S1 - 241
20456081 - 241
104570T1 - 241
204570U1 - 241
104580T1 - 241
204580V1 - 241
104590T1 - 241
204590W1 - 241
104600T1 - 241
204600X1 - 241
104610T1 - 241
204610Y1 - 241
104620T1 - 241
204620Z1 - 241
104630T1 - 241
20463011 - 241
104640T1 - 241
20464021 - 241
104650T1 - 241
20465031 - 241
104660T1 - 241
20466041 - 241
104670T1 - 241
20467051 - 241
104680T1 - 241
20468061 - 241
104690T1 - 241
20469071 - 241
104700T1 - 241
20470081 - 241
104710U1 - 241
204710V1 - 241
104720U1 - 241
204720W1 - 241
104730U1 - 241
204730X1 - 241
104740U1 - 241
204740Y1 - 241
104750U1 - 241
204750Z1 - 241
104760U1 - 241
20476011 - 241
104770U1 - 241
20477021 - 241
104780U1 - 241
20478031 - 241
104790U1 - 241
20479041 - 241
104800U1 - 241
20480051 - 241
104810U1 - 241
20481061 - 241
104820U1 - 241
20482071 - 241
104830U1 - 241
20483081 - 241
104840V1 - 241
204840W1 - 241
104850V1 - 241
204850X1 - 241
104860V1 - 241
204860Y1 - 241
104870V1 - 241
204870Z1 - 241
104880V1 - 241
20488011 - 241
104890V1 - 241
20489021 - 241
104900V1 - 241
20490031 - 241
104910V1 - 241
20491041 - 241
104920V1 - 241
20492051 - 241
104930V1 - 241
20493061 - 241
104940V1 - 241
20494071 - 241
104950V1 - 241
20495081 - 241
104960W1 - 241
204960X1 - 241
104970W1 - 241
204970Y1 - 241
104980W1 - 241
204980Z1 - 241
104990W1 - 241
20499011 - 241
105000W1 - 241
20500021 - 241
105010W1 - 241
20501031 - 241
105020W1 - 241
20502041 - 241
105030W1 - 241
20503051 - 241
105040W1 - 241
20504061 - 241
105050W1 - 241
20505071 - 241
105060W1 - 241
20506081 - 241
105070X1 - 241
205070Y1 - 241
105080X1 - 241
205080Z1 - 241
105090X1 - 241
20509011 - 241
105100X1 - 241
20510021 - 241
105110X1 - 241
20511031 - 241
105120X1 - 241
20512041 - 241
105130X1 - 241
20513051 - 241
105140X1 - 241
20514061 - 241
105150X1 - 241
20515071 - 241
105160X1 - 241
20516081 - 241
105170Y1 - 241
205170Z1 - 241
105180Y1 - 241
20518011 - 241
105190Y1 - 241
20519021 - 241
105200Y1 - 241
20520031 - 241
105210Y1 - 241
20521041 - 241
105220Y1 - 241
20522051 - 241
105230Y1 - 241
20523061 - 241
105240Y1 - 241
20524071 - 241
105250Y1 - 241
20525081 - 241
105260Z1 - 241
20526011 - 241
105270Z1 - 241
20527021 - 241
105280Z1 - 241
20528031 - 241
105290Z1 - 241
20529041 - 241
105300Z1 - 241
20530051 - 241
105310Z1 - 241
20531061 - 241
105320Z1 - 241
20532071 - 241
105330Z1 - 241
20533081 - 241
10534011 - 241
20534021 - 241
10535011 - 241
20535031 - 241
10536011 - 241
20536041 - 241
10537011 - 241
20537051 - 241
10538011 - 241
20538061 - 241
10539011 - 241
20539071 - 241
10540011 - 241
20540081 - 241
10541021 - 241
20541031 - 241
10542021 - 241
20542041 - 241
10543021 - 241
20543051 - 241
10544021 - 241
20544061 - 241
10545021 - 241
20545071 - 241
10546021 - 241
20546081 - 241
10547031 - 241
20547041 - 241
10548031 - 241
20548051 - 241
10549031 - 241
20549061 - 241
10550031 - 241
20550071 - 241
10551031 - 241
20551081 - 241
10552041 - 241
20552051 - 241
10553041 - 241
20553061 - 241
10554041 - 241
20554071 - 241
10555041 - 241
20555081 - 241
10556051 - 241
20556061 - 241
10557051 - 241
20557071 - 241
10558051 - 241
20558081 - 241
10559061 - 241
20559071 - 241
10560061 - 241
20560081 - 241
10561071 - 241
20561081 - 241

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
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
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-
Components

#1: Protein ...
Peptidase / ANCESTRAL BETA SUBUNIT


Mass: 26647.344 Da / Num. of mol.: 34 / Mutation: L94M, L112M,L228M
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas aeruginosa (bacteria)
Gene: AO946_34255, PAERUG_E15_London_28_01_14_04292, PAERUG_P32_London_17_VIM_2_10_11_02206
Production host: Escherichia coli (E. coli) / References: UniProt: A0A0D6I0H1

-
Experimental details

-
Experiment

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

-
Sample preparation

CrystalDensity Matthews: 3.11 Å3/Da / Density % sol: 60.39 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop / Details: 0.1 M sodium acetate pH 4.8, 1.2 M sodium nitrate

-
Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 0.979 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 13, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 2.9→39.6 Å / Num. obs: 244138 / % possible obs: 99.6 % / Redundancy: 14.2 % / CC1/2: 0.998 / Rmerge(I) obs: 0.172 / Net I/σ(I): 14.33
Reflection shellResolution: 2.9→3.07 Å / Redundancy: 14.1 % / Rmerge(I) obs: 1.193 / Mean I/σ(I) obs: 2.31 / CC1/2: 0.822 / % possible all: 98.2

-
Processing

Software
NameVersionClassification
REFMAC5.8.0049refinement
XDSdata reduction
XDSdata scaling
SHELXDEphasing
RefinementMethod to determine structure: SAD / Resolution: 2.9→39.6 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.93 / SU B: 33.691 / SU ML: 0.271 / Cross valid method: THROUGHOUT / ESU R Free: 0.334 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.2184 12254 5 %RANDOM
Rwork0.19783 ---
obs0.19886 231884 99.69 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parametersBiso mean: 79.563 Å2
Baniso -1Baniso -2Baniso -3
1--0.92 Å2-0 Å25.34 Å2
2---6.22 Å20 Å2
3---2.94 Å2
Refinement stepCycle: 1 / Resolution: 2.9→39.6 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms62186 0 0 0 62186
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0120.01963478
X-RAY DIFFRACTIONr_bond_other_d0.0080.0259806
X-RAY DIFFRACTIONr_angle_refined_deg1.4461.98186530
X-RAY DIFFRACTIONr_angle_other_deg1.1233137088
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.66358160
X-RAY DIFFRACTIONr_dihedral_angle_2_deg37.39923.52720
X-RAY DIFFRACTIONr_dihedral_angle_3_deg18.008159282
X-RAY DIFFRACTIONr_dihedral_angle_4_deg17.31415476
X-RAY DIFFRACTIONr_chiral_restr0.0720.210030
X-RAY DIFFRACTIONr_gen_planes_refined0.0090.02173032
X-RAY DIFFRACTIONr_gen_planes_other0.0070.0214620
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it3.4554.77232742
X-RAY DIFFRACTIONr_mcbond_other3.4554.77232741
X-RAY DIFFRACTIONr_mcangle_it5.437.16540868
X-RAY DIFFRACTIONr_mcangle_other5.437.16540869
X-RAY DIFFRACTIONr_scbond_it4.1825.03930736
X-RAY DIFFRACTIONr_scbond_other4.1825.03930737
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other6.4097.43245663
X-RAY DIFFRACTIONr_long_range_B_refined9.13638.11467126
X-RAY DIFFRACTIONr_long_range_B_other9.13638.11467127
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

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

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11A139990.03
12B139990.03
21A140610.02
22C140610.02
31A140130.03
32D140130.03
41A139390.04
42E139390.04
51A139910.04
52F139910.04
61A140380.03
62G140380.03
71A139930.03
72H139930.03
81A140540.02
82I140540.02
91A139770.03
92J139770.03
101A139880.03
102K139880.03
111A140380.03
112L140380.03
121A140080.03
122M140080.03
131A139870.03
132N139870.03
141A140330.02
142O140330.02
151A140450.02
152P140450.02
161A140300.03
162Q140300.03
171A139910.03
172R139910.03
181A140110.03
182S140110.03
191A140030.03
192T140030.03
201A140040.03
202U140040.03
211A140580.02
212V140580.02
221A139740.04
222W139740.04
231A140410.02
232X140410.02
241A140120.03
242Y140120.03
251A140340.03
252Z140340.03
261A139620.03
2621139620.03
271A140060.03
2722140060.03
281A140570.02
2823140570.02
291A139480.04
2924139480.04
301A140120.03
3025140120.03
311A140130.03
3126140130.03
321A140080.03
3227140080.03
331A140570.02
3328140570.02
341B140330.03
342C140330.03
351B140050.03
352D140050.03
361B139760.03
362E139760.03
371B139660.04
372F139660.04
381B140040.03
382G140040.03
391B139680.04
392H139680.04
401B140310.03
402I140310.03
411B139740.03
412J139740.03
421B139510.04
422K139510.04
431B140370.03
432L140370.03
441B139620.04
442M139620.04
451B140150.03
452N140150.03
461B140130.03
462O140130.03
471B139710.03
472P139710.03
481B139760.03
482Q139760.03
491B139620.04
492R139620.04
501B140140.03
502S140140.03
511B139840.04
512T139840.04
521B139580.04
522U139580.04
531B140190.03
532V140190.03
541B140070.03
542W140070.03
551B139780.04
552X139780.04
561B139970.03
562Y139970.03
571B140030.03
572Z140030.03
581B139820.04
5821139820.04
591B139860.03
5922139860.03
601B140080.03
6023140080.03
611B140090.03
6124140090.03
621B139680.04
6225139680.04
631B139940.03
6326139940.03
641B140080.03
6427140080.03
651B140410.03
6528140410.03
661C139810.03
662D139810.03
671C139530.03
672E139530.03
681C139740.04
682F139740.04
691C140570.02
692G140570.02
701C139810.03
702H139810.03
711C140380.02
712I140380.02
721C140180.03
722J140180.03
731C139670.03
732K139670.03
741C140550.03
742L140550.03
751C140080.03
752M140080.03
761C140050.03
762N140050.03
771C140260.03
772O140260.03
781C140290.02
782P140290.02
791C140100.03
792Q140100.03
801C139720.04
802R139720.04
811C140280.02
812S140280.02
821C139970.03
822T139970.03
831C139920.03
832U139920.03
841C140520.02
842V140520.02
851C140150.03
852W140150.03
861C140100.03
862X140100.03
871C140070.03
872Y140070.03
881C140160.03
882Z140160.03
891C139800.03
8921139800.03
901C140010.03
9022140010.03
911C140480.02
9123140480.02
921C139850.03
9224139850.03
931C140060.03
9325140060.03
941C140100.03
9426140100.03
951C140410.03
9527140410.03
961C140380.02
9628140380.02
971D140220.02
972E140220.02
981D139730.04
982F139730.04
991D139580.04
992G139580.04
1001D140430.02
1002H140430.02
1011D140190.02
1012I140190.02
1021D139890.03
1022J139890.03
1031D140200.02
1032K140200.02
1041D140230.03
1042L140230.03
1051D140320.02
1052M140320.02
1061D140210.03
1062N140210.03
1071D139960.03
1072O139960.03
1081D139640.03
1082P139640.03
1091D139790.03
1092Q139790.03
1101D140420.02
1102R140420.02
1111D139920.03
1112S139920.03
1121D140310.03
1122T140310.03
1131D140140.03
1132U140140.03
1141D140110.03
1142V140110.03
1151D140220.03
1152W140220.03
1161D140460.02
1162X140460.02
1171D140630.02
1172Y140630.02
1181D140180.02
1182Z140180.02
1191D139420.03
11921139420.03
1201D140420.02
12022140420.02
1211D139930.03
12123139930.03
1221D140360.03
12224140360.03
1231D140210.03
12325140210.03
1241D140640.02
12426140640.02
1251D140200.03
12527140200.03
1261D140330.03
12628140330.03
1271E139050.05
1272F139050.05
1281E139290.04
1282G139290.04
1291E139870.03
1292H139870.03
1301E139470.04
1302I139470.04
1311E139850.03
1312J139850.03
1321E139470.03
1322K139470.03
1331E139860.03
1332L139860.03
1341E139580.03
1342M139580.03
1351E139870.03
1352N139870.03
1361E139360.04
1362O139360.04
1371E138990.04
1372P138990.04
1381E139320.04
1382Q139320.04
1391E139810.03
1392R139810.03
1401E139520.03
1402S139520.03
1411E139600.04
1412T139600.04
1421E139760.03
1422U139760.03
1431E139430.03
1432V139430.03
1441E140050.03
1442W140050.03
1451E139740.03
1452X139740.03
1461E139990.03
1462Y139990.03
1471E139550.03
1472Z139550.03
1481E139680.03
14821139680.03
1491E139810.03
14922139810.03
1501E139320.04
15023139320.04
1511E140360.03
15124140360.03
1521E139810.03
15225139810.03
1531E139960.03
15326139960.03
1541E139940.03
15427139940.03
1551E139650.03
15528139650.03
1561F139640.04
1562G139640.04
1571F139670.04
1572H139670.04
1581F140130.03
1582I140130.03
1591F139160.04
1592J139160.04
1601F139260.04
1602K139260.04
1611F140000.04
1612L140000.04
1621F139610.04
1622M139610.04
1631F139490.04
1632N139490.04
1641F139980.04
1642O139980.04
1651F139660.04
1652P139660.04
1661F139930.04
1662Q139930.04
1671F139710.04
1672R139710.04
1681F140300.04
1682S140300.04
1691F139610.04
1692T139610.04
1701F139460.04
1702U139460.04
1711F139650.04
1712V139650.04
1721F139180.05
1722W139180.05
1731F139630.04
1732X139630.04
1741F140020.04
1742Y140020.04
1751F140010.04
1752Z140010.04
1761F139280.04
17621139280.04
1771F139810.04
17722139810.04
1781F139920.04
17823139920.04
1791F139410.04
17924139410.04
1801F139500.04
18025139500.04
1811F139950.04
18126139950.04
1821F139480.04
18227139480.04
1831F140000.04
18328140000.04
1841G139500.04
1842H139500.04
1851G140160.03
1852I140160.03
1861G139790.03
1862J139790.03
1871G139330.04
1872K139330.04
1881G140270.02
1882L140270.02
1891G139680.03
1892M139680.03
1901G139840.03
1902N139840.03
1911G140040.03
1912O140040.03
1921G140080.03
1922P140080.03
1931G140030.03
1932Q140030.03
1941G139560.04
1942R139560.04
1951G140070.03
1952S140070.03
1961G139670.04
1962T139670.04
1971G139610.04
1972U139610.04
1981G140140.03
1982V140140.03
1991G139840.04
1992W139840.04
2001G139880.03
2002X139880.03
2011G139850.03
2012Y139850.03
2021G139880.04
2022Z139880.04
2031G139560.04
20321139560.04
2041G139810.03
20422139810.03
2051G140260.03
20523140260.03
2061G139650.03
20624139650.03
2071G139720.03
20725139720.03
2081G139820.03
20826139820.03
2091G140190.03
20927140190.03
2101G140180.03
21028140180.03
2111H140080.03
2112I140080.03
2121H139850.03
2122J139850.03
2131H140090.02
2132K140090.02
2141H140120.03
2142L140120.03
2151H140430.02
2152M140430.02
2161H140100.03
2162N140100.03
2171H140170.03
2172O140170.03
2181H139590.03
2182P139590.03
2191H139910.03
2192Q139910.03
2201H140730.01
2202R140730.01
2211H139720.03
2212S139720.03
2221H140190.03
2222T140190.03
2231H140060.03
2232U140060.03
2241H139660.03
2242V139660.03
2251H139980.04
2252W139980.04
2261H140320.02
2262X140320.02
2271H140640.02
2272Y140640.02
2281H140550.01
2282Z140550.01
2291H139750.03
22921139750.03
2301H140440.02
23022140440.02
2311H139940.03
23123139940.03
2321H140050.03
23224140050.03
2331H140340.02
23325140340.02
2341H140600.02
23426140600.02
2351H140360.03
23527140360.03
2361H139910.03
23628139910.03
2371I139760.03
2372J139760.03
2381I140160.02
2382K140160.02
2391I140520.03
2392L140520.03
2401I140110.02
2402M140110.02
2411I140160.03
2412N140160.03
2421I140520.02
2422O140520.02
2431I140200.02
2432P140200.02
2441I140240.02
2442Q140240.02
2451I140040.03
2452R140040.03
2461I140290.02
2462S140290.02
2471I140190.03
2472T140190.03
2481I140170.02
2482U140170.02
2491I140360.02
2492V140360.02
2501I139780.04
2502W139780.04
2511I140420.02
2512X140420.02
2521I140430.02
2522Y140430.02
2531I140520.02
2532Z140520.02
2541I139780.03
25421139780.03
2551I140310.02
25522140310.02
2561I140560.02
25623140560.02
2571I139800.03
25724139800.03
2581I140190.02
25825140190.02
2591I140420.02
25926140420.02
2601I140140.03
26027140140.03
2611I140600.02
26128140600.02
2621J139680.03
2622K139680.03
2631J139960.03
2632L139960.03
2641J140160.03
2642M140160.03
2651J140200.02
2652N140200.02
2661J139590.04
2662O139590.04
2671J139470.03
2672P139470.03
2681J139610.03
2682Q139610.03
2691J139770.03
2692R139770.03
2701J139720.03
2702S139720.03
2711J139930.03
2712T139930.03
2721J140000.03
2722U140000.03
2731J139680.03
2732V139680.03
2741J139980.03
2742W139980.03
2751J140090.03
2752X140090.03
2761J140140.02
2762Y140140.02
2771J139560.03
2772Z139560.03
2781J139530.03
27821139530.03
2791J140080.02
27922140080.02
2801J139830.03
28023139830.03
2811J140190.03
28124140190.03
2821J139860.03
28225139860.03
2831J140180.02
28326140180.02
2841J140240.02
28427140240.02
2851J139560.03
28528139560.03
2861K139970.03
2862L139970.03
2871K140060.02
2872M140060.02
2881K139910.03
2882N139910.03
2891K139720.03
2892O139720.03
2901K140120.03
2902P140120.03
2911K139380.03
2912Q139380.03
2921K140030.03
2922R140030.03
2931K139490.03
2932S139490.03
2941K140040.03
2942T140040.03
2951K139930.02
2952U139930.02
2961K139640.03
2962V139640.03
2971K139710.04
2972W139710.04
2981K140360.01
2982X140360.01
2991K140270.02
2992Y140270.02
3001K139840.03
3002Z139840.03
3011K139130.04
30121139130.04
3021K140120.02
30222140120.02
3031K139730.03
30323139730.03
3041K139660.03
30424139660.03
3051K140060.02
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3061K140280.02
30626140280.02
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30727140050.03
3081K139750.03
30828139750.03
3091L140040.03
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3101L140230.03
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3112O140250.03
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3131L140000.03
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3151L140500.02
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3212Y140280.03
3221L140530.03
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3231L140100.03
32321140100.03
3241L140060.03
32422140060.03
3251L140250.03
32523140250.03
3261L140160.03
32624140160.03
3271L139900.03
32725139900.03
3281L140310.03
32826140310.03
3291L140280.03
32927140280.03
3301L140220.03
33028140220.03
3311M140070.03
3312N140070.03
3321M140020.03
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3331M139720.03
3332P139720.03
3341M140040.02
3342Q140040.02
3351M140370.02
3352R140370.02
3361M139770.03
3362S139770.03
3371M140260.03
3372T140260.03
3381M140060.03
3382U140060.03
3391M139990.03
3392V139990.03
3401M140020.03
3402W140020.03
3411M140460.02
3412X140460.02
3421M140550.01
3422Y140550.01
3431M140160.02
3432Z140160.02
3441M139410.03
34421139410.03
3451M140330.02
34522140330.02
3461M140070.03
34623140070.03
3471M139950.03
34724139950.03
3481M140320.02
34825140320.02
3491M140600.01
34926140600.01
3501M140280.03
35027140280.03
3511M139840.03
35128139840.03
3521N139960.03
3522O139960.03
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3532P139510.03
3541N139700.03
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3551N140030.03
3552R140030.03
3561N140080.02
3562S140080.02
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3601N140110.03
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3612X140200.03
3621N140400.02
3622Y140400.02
3631N139880.03
3632Z139880.03
3641N139720.03
36421139720.03
3651N140390.02
36522140390.02
3661N139960.03
36623139960.03
3671N140150.02
36724140150.02
3681N140080.03
36825140080.03
3691N140390.02
36926140390.02
3701N140490.02
37027140490.02
3711N139880.03
37128139880.03
3721O140110.02
3722P140110.02
3731O140340.02
3732Q140340.02
3741O140070.03
3742R140070.03
3751O140070.03
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3801O139970.03
3802X139970.03
3811O140290.03
3812Y140290.03
3821O140480.03
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3831O139810.03
38321139810.03
3841O140210.02
38422140210.02
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38523140540.02
3861O139620.04
38624139620.04
3871O140150.02
38725140150.02
3881O140200.03
38826140200.03
3891O140180.03
38927140180.03
3901O140420.02
39028140420.02
3911P140050.02
3912Q140050.02
3921P139560.04
3922R139560.04
3931P139730.03
3932S139730.03
3941P139720.03
3942T139720.03
3951P139730.03
3952U139730.03
3961P140220.02
3962V140220.02
3971P139410.04
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3982X139900.02
3991P139910.03
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4011P139240.04
40121139240.04
4021P139860.03
40222139860.03
4031P140330.02
40323140330.02
4041P139240.04
40424139240.04
4051P139800.02
40525139800.02
4061P139840.03
40626139840.03
4071P139760.03
40727139760.03
4081P140300.02
40828140300.02
4091Q139850.03
4092R139850.03
4101Q139900.03
4102S139900.03
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4112T139670.03
4121Q139570.03
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4131Q140050.03
4132V140050.03
4141Q139580.03
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4172Z140220.03
4181Q139530.03
41821139530.03
4191Q139990.03
41922139990.03
4201Q140370.03
42023140370.03
4211Q139390.04
42124139390.04
4221Q139800.03
42225139800.03
4231Q140000.03
42326140000.03
4241Q139810.03
42427139810.03
4251Q140120.03
42528140120.03
4261R139720.03
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4301R140000.03
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4311R140290.02
4312X140290.02
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4322Y140590.02
4331R140460.02
4332Z140460.02
4341R139710.03
43421139710.03
4351R140350.03
43522140350.03
4361R139850.04
43623139850.04
4371R140090.03
43724140090.03
4381R140270.03
43825140270.03
4391R140540.02
43926140540.02
4401R140280.03
44027140280.03
4411R139870.03
44128139870.03
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4471S140040.03
4472Y140040.03
4481S140100.03
4482Z140100.03
4491S139740.03
44921139740.03
4501S139850.03
45022139850.03
4511S140010.03
45123140010.03
4521S139790.03
45224139790.03
4531S139640.03
45325139640.03
4541S140060.03
45426140060.03
4551S140020.03
45527140020.03
4561S140070.03
45628140070.03
4571T140260.03
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4592W139980.04
4601T140280.03
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4621T139960.03
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46523140060.03
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46624139920.04
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46725140330.02
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46826140580.02
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46927140300.03
4701T140060.03
47028140060.03
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4751U139800.03
4752Z139800.03
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4771U140310.02
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47823139920.03
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47924139940.03
4801U140310.02
48025140310.02
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4881V139380.04
48821139380.04
4891V139870.03
48922139870.03
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49023140380.02
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4921V139980.03
49225139980.03
4931V139980.03
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4941V139950.03
49427139950.03
4951V140690.01
49528140690.01
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4991W139340.04
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5001W140030.03
50022140030.03
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50123139630.04
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50224140310.03
5031W140230.03
50325140230.03
5041W140140.03
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5051W140620.03
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5061W140110.03
50628140110.03
5071X140510.02
5072Y140510.02
5081X140090.03
5082Z140090.03
5091X139350.03
50921139350.03
5101X140430.02
51022140430.02
5111X140270.03
51123140270.03
5121X139920.03
51224139920.03
5131X140270.02
51325140270.02
5141X140540.02
51426140540.02
5151X140240.03
51527140240.03
5161X140030.03
51628140030.03
5171Y140360.02
5172Z140360.02
5181Y139630.03
51821139630.03
5191Y140770.01
51922140770.01
5201Y140230.03
52023140230.03
5211Y140330.03
52124140330.03
5221Y140480.02
52225140480.02
5231Y140910
52326140910
5241Y140460.03
52427140460.03
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52528140270.03
5261Z140140.02
52621140140.02
5271Z140140.03
52722140140.03
5281Z140320.03
52823140320.03
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52924139770.04
5301Z140060.03
53025140060.03
5311Z140330.02
53126140330.02
5321Z140130.03
53227140130.03
5331Z140270.03
53328140270.03
53411139460.04
53422139460.04
53511139620.04
53523139620.04
53611139670.03
53624139670.03
53711139650.03
53725139650.03
53811139590.03
53826139590.03
53911139730.03
53927139730.03
54011139580.04
54028139580.04
54112140240.03
54123140240.03
54212140100.03
54224140100.03
54312140410.02
54325140410.02
54412140720.01
54426140720.01
54512140400.03
54527140400.03
54612140190.03
54628140190.03
54713139580.04
54724139580.04
54813139970.03
54825139970.03
54913140190.03
54926140190.03
55013140020.03
55027140020.03
55113140410.02
55128140410.02
55214139850.03
55225139850.03
55314140280.03
55326140280.03
55414140260.03
55427140260.03
55514139940.03
55528139940.03
55615140490.02
55626140490.02
55715140550.03
55727140550.03
55815140180.02
55828140180.02
55916140460.03
55927140460.03
56016140190.03
56028140190.03
56117140090.03
56128140090.03
LS refinement shellResolution: 2.896→2.971 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.399 862 -
Rwork0.356 16559 -
obs--96.43 %
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
12.91160.7361-0.51081.5569-0.72413.1420.1603-0.2546-0.02980.1016-0.15640.03240.22710.1498-0.00390.2636-0.05490.02730.1855-0.10250.0692209.75949.477194.0046
22.58410.7619-0.76751.2942-0.69243.7325-0.03710.4860.1635-0.17540.1445-0.1240.13090.0356-0.10740.236-0.0758-0.01830.24140.05360.1582213.078658.048662.9247
31.7470.6080.49253.5336-1.58863.61880.1191-0.0427-0.10220.4043-0.20510.00990.10950.2190.0860.3318-0.1020.06210.1598-0.05780.045188.881823.36291.0917
41.32310.5540.55683.2281-1.47173.9233-0.00480.10170.2181-0.11940.14230.17520.18340.183-0.13750.16820.0007-0.0550.0663-0.02090.1899184.494840.387563.9306
52.974-1.46731.16213.5063-0.21842.206-0.23270.0149-0.02630.53230.172-0.20630.26460.21570.06070.4410.00020.0340.0913-0.02760.0388189.0601-7.89778.4563
61.8081-0.83650.30852.6005-0.59343.3546-0.02840.15550.210.0535-0.0948-0.0592-0.04770.20780.12320.0961-0.0305-0.00960.1455-0.01750.1161172.87669.485156.6846
73.8737-1.06590.55591.91310.15132.1971-0.2382-0.10880.2440.05120.0727-0.25090.08520.22080.16550.30230.06870.03890.11880.04440.1294206.6986-27.814557.4961
83.318-1.59160.09922.4186-0.30763.06260.06640.3101-0.01620.0098-0.20080.1907-0.0318-0.22070.13440.0674-0.07460.04090.2963-0.12150.124180.243-19.574140.9441
93.24430.543-0.17531.7779-0.00512.0798-0.0688-0.4619-0.08640.0184-0.1325-0.16350.03620.12040.20130.14320.08240.03690.21780.060.0958229.4955-27.340632.8112
103.54110.29360.50411.1108-0.61862.3796-0.21390.10620.02410.09380.07030.21480.0771-0.26750.14350.1945-0.1060.08860.1383-0.1090.1659201.0907-32.146317.7947
112.06991.09920.21872.68830.20572.69850.0711-0.05490.00490.1724-0.1056-0.2163-0.11240.04620.03450.025-0.0175-0.04120.11690.03680.1033243.5383-5.32711.6599
123.14260.96190.74662.5125-0.41181.7569-0.26990.1191-0.182-0.23780.1660.1420.2122-0.14680.10390.1847-0.07910.02450.1185-0.06440.0934221.1557-20.2403-6.3107
131.53680.26021.07483.73960.79533.0486-0.0143-0.16190.27940.1613-0.0290.0867-0.0297-0.18320.04330.0406-0.0072-0.05130.0616-0.03050.1663237.817226.60293.0684
141.87240.12030.46173.36730.82321.9592-0.06390.023-0.0822-0.5251-0.10270.3346-0.0002-0.19610.16660.22010.038-0.10740.1225-0.05570.0818225.43089.5726-21.4507
152.0132-0.8694-0.56782.11450.54474.2533-0.0729-0.3610.23050.15290.278-0.08520.2359-0.0165-0.2050.05820.0445-0.09910.1166-0.11770.2388213.485949.31187.526
162.3487-0.8144-0.51882.83941.8824.26660.20130.2635-0.0512-0.2177-0.1268-0.13460.151-0.426-0.07450.11340.0197-0.03490.23110.06340.0916210.191239.6298-23.1437
172.5079-0.3121-0.36831.4031-0.4773.6890.0419-0.12480.02010.0664-0.08970.10340.32820.10730.04790.0761-0.0245-0.03390.1381-0.04540.1286180.8951.62516.1616
183.0075-0.0995-0.93291.34780.66974.33670.12080.78890.1928-0.1508-0.0173-0.06810.1159-0.2662-0.10360.06940.0007-0.05790.39140.19210.2042181.250855.5476-15.8438
191.95810.38970.7962.2527-2.00134.45130.15970.0592-0.07950.2283-0.12950.28260.12260.009-0.03030.0949-0.07390.03660.1718-0.08570.1675152.419833.562319.4905
201.99390.76880.58883.61-2.39443.9060.00170.22740.2868-0.39640.11840.31540.21630.0412-0.12010.1108-0.007-0.14950.12090.02130.3438148.983449.0621-8.626
211.8929-0.11960.71243.9372-0.15811.74380.1079-0.0726-0.04850.6473-0.2417-0.25680.1657-0.02580.13380.2987-0.2107-0.14410.23760.05540.1937139.73573.445511.8389
221.4468-0.2990.98623.225-0.01842.9128-0.0056-0.00590.3441-0.0407-0.1734-0.056-0.07290.12380.17890.0467-0.0071-0.11090.1333-0.01210.3658127.00923.5637-10.1012
232.3006-0.69841.32582.55370.02172.1286-0.01350.09560.06250.0406-0.1869-0.57960.02670.26840.20040.062-0.0235-0.0210.20980.15820.233147.2957-22.788-7.7033
241.9887-1.18050.22923.4472-0.11212.10410.16060.27340.117-0.3087-0.30970.084-0.15490.04820.14910.04460.0299-0.02260.2558-0.02890.1311124.5412-6.8935-24.3041
255.9884-0.36590.18711.01750.27552.7378-0.2928-0.4801-0.3107-0.03850.0489-0.13810.03240.4020.2440.14950.12960.10310.34210.15230.3591168.6193-30.0187-32.7396
265.5276-1.04510.3481.18-0.19932.9773-0.15150.6246-0.39110.0139-0.08450.0749-0.0643-0.25620.23590.0911-0.08910.07540.3793-0.14710.277139.9593-26.5393-47.2091
273.68461.53410.55463.00620.22883.00330.1113-0.451-0.07020.1714-0.3525-0.3768-0.23990.21770.24120.0849-0.01810.0690.40570.1140.3117188.0628-14.5342-55.4378
284.38121.57540.4482.443-0.27372.1493-0.39210.24930.2204-0.26720.16230.28810.0549-0.39040.22980.2799-0.07610.05580.3133-0.11530.2743162.4747-24.6768-72.323
291.86171.04070.74853.9670.83112.71370.013-0.27760.27660.2505-0.28190.1391-0.1678-0.26510.26890.1662-0.01860.0020.2703-0.04970.3049192.619515.654-69.8246
302.35151.27871.01083.72580.46922.1385-0.1106-0.0395-0.0165-0.62230.00450.43920.0928-0.2590.10610.4140.04570.00640.2141-0.07650.2235177.686-2.1485-92.3377
311.7722-1.51830.01324.51552.58974.05480.0038-0.21610.45520.40580.3452-0.72690.21670.0944-0.34910.28720.0521-0.14020.2084-0.13070.5012177.124345.1738-74.6753
321.8276-1.14570.23934.04012.12563.87440.31430.1658-0.0383-0.6686-0.2836-0.3386-0.1439-0.1877-0.03070.43750.17050.14560.31790.01640.2522174.142429.6835-102.9385
332.9496-0.3234-0.90071.3861-0.58363.6282-0.0385-0.46150.13580.09640.1173-0.02490.24240.1101-0.07870.22660.0247-0.02350.2837-0.15220.2133146.37258.6467-72.1758
342.9925-0.2259-0.50361.07340.20893.37840.01250.3685-0.0538-0.1248-0.1423-0.13850.511-0.09570.12980.30590.01270.10760.30110.04830.1707150.459253.546-103.8639
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A1 - 241
2X-RAY DIFFRACTION2B1 - 241
3X-RAY DIFFRACTION3C1 - 241
4X-RAY DIFFRACTION4D1 - 241
5X-RAY DIFFRACTION5E1 - 241
6X-RAY DIFFRACTION6F1 - 241
7X-RAY DIFFRACTION7G1 - 241
8X-RAY DIFFRACTION8H1 - 241
9X-RAY DIFFRACTION9I1 - 241
10X-RAY DIFFRACTION10J1 - 241
11X-RAY DIFFRACTION11K1 - 241
12X-RAY DIFFRACTION12L1 - 241
13X-RAY DIFFRACTION13M1 - 241
14X-RAY DIFFRACTION14N1 - 241
15X-RAY DIFFRACTION15O1 - 241
16X-RAY DIFFRACTION16P1 - 241
17X-RAY DIFFRACTION17Q1 - 241
18X-RAY DIFFRACTION18R1 - 241
19X-RAY DIFFRACTION19S1 - 241
20X-RAY DIFFRACTION20T1 - 241
21X-RAY DIFFRACTION21U1 - 241
22X-RAY DIFFRACTION22V1 - 241
23X-RAY DIFFRACTION23W1 - 241
24X-RAY DIFFRACTION24X1 - 241
25X-RAY DIFFRACTION25Y1 - 241
26X-RAY DIFFRACTION26Z1 - 241
27X-RAY DIFFRACTION2711 - 241
28X-RAY DIFFRACTION2821 - 241
29X-RAY DIFFRACTION2931 - 241
30X-RAY DIFFRACTION3041 - 241
31X-RAY DIFFRACTION3151 - 241
32X-RAY DIFFRACTION3261 - 241
33X-RAY DIFFRACTION3371 - 241
34X-RAY DIFFRACTION3481 - 241

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