THE SEQUENCE FOR B/LYON/CHU/15.216/2011 NEURAMINIDASE IS AVAILABLE THROUGH THE GLOBAL INITIATIVE ON ...THE SEQUENCE FOR B/LYON/CHU/15.216/2011 NEURAMINIDASE IS AVAILABLE THROUGH THE GLOBAL INITIATIVE ON SHARING ALL INFLUENZA DATABASE.THE ACCESSION NUMBER IS EPI498043.
解像度: 2.2→48.503 Å / SU ML: 0.25 / σ(F): 1.33 / 位相誤差: 22.33 / 立体化学のターゲット値: ML
Rfactor
反射数
%反射
Rfree
0.1997
8204
5 %
Rwork
0.1533
-
-
obs
0.1556
164328
96.77 %
溶媒の処理
減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
原子変位パラメータ
Biso mean: 41.9 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.2→48.503 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
24126
0
584
1274
25984
拘束条件
Refine-ID
タイプ
Dev ideal
数
X-RAY DIFFRACTION
f_bond_d
0.007
25386
X-RAY DIFFRACTION
f_angle_d
1.126
34267
X-RAY DIFFRACTION
f_dihedral_angle_d
17.075
9260
X-RAY DIFFRACTION
f_chiral_restr
0.079
3682
X-RAY DIFFRACTION
f_plane_restr
0.004
4371
LS精密化 シェル
解像度 (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.2-2.225
0.3166
272
0.2546
5144
X-RAY DIFFRACTION
96
2.225-2.2512
0.2765
230
0.2551
4644
X-RAY DIFFRACTION
87
2.2512-2.2786
0.3287
260
0.2464
4934
X-RAY DIFFRACTION
91
2.2786-2.3075
0.2646
255
0.2218
5249
X-RAY DIFFRACTION
98
2.3075-2.3378
0.2968
269
0.2124
5298
X-RAY DIFFRACTION
98
2.3378-2.3699
0.2814
280
0.2071
5275
X-RAY DIFFRACTION
99
2.3699-2.4037
0.2532
284
0.1946
5296
X-RAY DIFFRACTION
98
2.4037-2.4396
0.2517
294
0.1902
5261
X-RAY DIFFRACTION
99
2.4396-2.4777
0.2257
286
0.1787
5316
X-RAY DIFFRACTION
99
2.4777-2.5183
0.244
263
0.1786
5267
X-RAY DIFFRACTION
98
2.5183-2.5618
0.2649
292
0.1899
5304
X-RAY DIFFRACTION
98
2.5618-2.6083
0.2512
250
0.191
5261
X-RAY DIFFRACTION
98
2.6083-2.6585
0.2742
263
0.1932
5341
X-RAY DIFFRACTION
99
2.6585-2.7128
0.2592
294
0.1827
5234
X-RAY DIFFRACTION
98
2.7128-2.7717
0.2477
263
0.1686
5318
X-RAY DIFFRACTION
98
2.7717-2.8362
0.2491
279
0.1672
5235
X-RAY DIFFRACTION
98
2.8362-2.9071
0.2253
286
0.1615
5291
X-RAY DIFFRACTION
98
2.9071-2.9857
0.2338
276
0.1694
5259
X-RAY DIFFRACTION
98
2.9857-3.0736
0.2412
257
0.17
5211
X-RAY DIFFRACTION
98
3.0736-3.1728
0.2298
299
0.1675
5184
X-RAY DIFFRACTION
96
3.1728-3.2861
0.2172
243
0.1621
4691
X-RAY DIFFRACTION
87
3.2861-3.4177
0.2269
305
0.1526
5209
X-RAY DIFFRACTION
97
3.4177-3.5732
0.1795
280
0.1403
5294
X-RAY DIFFRACTION
98
3.5732-3.7615
0.1614
293
0.132
5255
X-RAY DIFFRACTION
98
3.7615-3.997
0.1467
273
0.1247
5278
X-RAY DIFFRACTION
98
3.997-4.3055
0.1599
287
0.1163
5263
X-RAY DIFFRACTION
98
4.3055-4.7384
0.1427
295
0.1098
5247
X-RAY DIFFRACTION
98
4.7384-5.4233
0.1439
244
0.1102
5257
X-RAY DIFFRACTION
97
5.4233-6.8298
0.1743
262
0.1317
4918
X-RAY DIFFRACTION
91
6.8298-48.515
0.1507
270
0.1535
5390
X-RAY DIFFRACTION
98
精密化 TLS
手法: refined / Refine-ID: X-RAY DIFFRACTION
ID
L11 (°2)
L12 (°2)
L13 (°2)
L22 (°2)
L23 (°2)
L33 (°2)
S11 (Å °)
S12 (Å °)
S13 (Å °)
S21 (Å °)
S22 (Å °)
S23 (Å °)
S31 (Å °)
S32 (Å °)
S33 (Å °)
T11 (Å2)
T12 (Å2)
T13 (Å2)
T22 (Å2)
T23 (Å2)
T33 (Å2)
Origin x (Å)
Origin y (Å)
Origin z (Å)
1
0.6302
-0.0232
0.0628
0.7277
-0.1246
0.4313
0.0552
0.068
0.1654
0.0034
-0.0424
0.0985
-0.0093
-0.0426
-0.0132
0.1251
0.008
0.0458
0.1601
-0.0315
0.2342
-7.2942
36.3076
48.6862
2
0.7488
0.1213
0.1373
0.9073
-0.061
0.226
0.0899
-0.0627
-0.1728
0.1882
-0.0529
0.1667
0.0348
-0.0391
-0.0332
0.2228
-0.0558
0.038
0.1567
-0.0122
0.2318
-10.4136
0.7237
66.4491
3
0.8044
0.0733
-0.0938
0.7349
-0.06
0.2389
0.0664
0.0961
0.1538
0.0371
-0.0573
-0.4084
0.0207
0.0212
0.0006
0.1446
0.0064
0.0156
0.1713
-0.027
0.4271
32.5195
34.4557
52.218
4
0.8135
-0.0905
0.0584
0.7438
-0.0379
0.1504
0.1162
-0.1273
-0.3755
0.2158
-0.0383
-0.4108
0.0891
0.0311
-0.0454
0.2949
-0.0129
-0.1712
0.176
0.016
0.4849
29.2026
-1.0808
70.0673
5
0.5681
-0.1127
-0.068
0.5634
0.5193
0.9116
-0.1254
0.0738
-0.1762
-0.0572
-0.2906
0.3548
0.3348
-0.4806
0.0086
0.5226
-0.3007
0.0717
0.6852
-0.1863
0.1188
15.3824
55.3041
101.1138
6
0.8615
-0.1584
-0.2896
0.6366
0.4823
0.5181
-0.0745
-0.1342
-0.2025
0.011
0.09
-0.3121
0.2936
0.1575
0.0148
0.5
0.0233
0.0483
0.4479
0.0529
0.2358
55.0997
50.8963
103.957
7
0.9347
-0.0796
-0.0742
0.8151
-0.2287
0.6931
0.0735
0.1849
0.4492
0.037
-0.1787
-0.3179
-0.1436
0.2714
0.0726
0.3657
0.0377
0.0162
0.6004
0.1942
0.4283
-6.2835
9.2607
115.4277
8
0.5723
0.0487
-0.1933
0.8498
-0.3176
0.4898
0.1233
0.4307
0.4283
-0.0367
0.1033
0.4675
-0.0467
-0.3765
-0.1618
0.3272
0.158
0.0101
0.7806
0.2552
0.4229
43.5032
4.6607
112.4321
9
0.1485
-0.0183
-0.0211
0.0575
0.018
0.0862
0.0379
-0.0258
-0.0272
0.0275
-0.0156
-0.0226
0.0165
-0.0068
-0.0145
0.2225
-0.0163
-0.0016
0.2046
-0.012
0.2728
12.8484
23.0237
69.4104
精密化 TLSグループ
ID
Refine-ID
Refine TLS-ID
Selection details
1
X-RAY DIFFRACTION
1
(CHAINAANDRESID76:700)
2
X-RAY DIFFRACTION
2
(CHAINBANDRESID76:700)
3
X-RAY DIFFRACTION
3
(CHAINCANDRESID76:700)
4
X-RAY DIFFRACTION
4
(CHAINDANDRESID76:700)
5
X-RAY DIFFRACTION
5
(CHAINEANDRESID76:700)
6
X-RAY DIFFRACTION
6
(CHAINFANDRESID76:700)
7
X-RAY DIFFRACTION
7
(CHAINGANDRESID76:700)
8
X-RAY DIFFRACTION
8
(CHAINHANDRESID76:700)
9
X-RAY DIFFRACTION
9
((CHAINAANDRESID2001:2314) OR (CHAINBANDRESID2001:2251) OR (CHAINCANDRESID2001:2255) OR (CHAINDANDRESID2001:2188) OR (CHAINEANDRESID2001:2102) OR (CHAINFANDRESID2001:2050) OR (CHAINGANDRESID2001:2058) OR (CHAINHANDRESID2001:2056))