解像度: 2.711→78.679 Å / Cor.coef. Fo:Fc: 0.879 / Cor.coef. Fo:Fc free: 0.934 / SU B: 33.775 / SU ML: 0.291 / 交差検証法: THROUGHOUT / ESU R: 1.199 / ESU R Free: 0.355 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2515
1171
4.789 %
Rwork
0.2258
23282
-
all
0.227
-
-
obs
-
24453
82.984 %
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: BABINET MODEL PLUS MASK
原子変位パラメータ
Biso mean: 101.994 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.445 Å2
0 Å2
0 Å2
2-
-
-0.945 Å2
0 Å2
3-
-
-
1.39 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.711→78.679 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
5370
0
38
0
5408
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.013
5525
X-RAY DIFFRACTION
r_bond_other_d
0.003
0.017
4877
X-RAY DIFFRACTION
r_ext_dist_refined_d
0.02
0.01
8152
X-RAY DIFFRACTION
r_angle_refined_deg
1.255
1.648
7485
X-RAY DIFFRACTION
r_angle_other_deg
1.073
1.578
11328
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
9.639
5
697
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
38.687
22.347
311
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
17.113
15
880
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.275
15
40
X-RAY DIFFRACTION
r_chiral_restr
0.049
0.2
699
X-RAY DIFFRACTION
r_gen_planes_refined
0.022
0.02
6378
X-RAY DIFFRACTION
r_gen_planes_other
0.014
0.02
1178
X-RAY DIFFRACTION
r_nbd_refined
0.208
0.2
951
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.207
0.2
4800
X-RAY DIFFRACTION
r_nbtor_refined
0.166
0.2
2542
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.074
0.2
2793
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.168
0.2
145
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.044
0.2
3
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.237
0.2
6
X-RAY DIFFRACTION
r_nbd_other
0.301
0.2
32
X-RAY DIFFRACTION
r_mcbond_it
6.648
7.436
2791
X-RAY DIFFRACTION
r_mcbond_other
6.649
7.436
2790
X-RAY DIFFRACTION
r_mcangle_it
9.076
11.172
3487
X-RAY DIFFRACTION
r_mcangle_other
9.075
11.171
3488
X-RAY DIFFRACTION
r_scbond_it
7.134
7.83
2734
X-RAY DIFFRACTION
r_scbond_other
7.122
7.83
2734
X-RAY DIFFRACTION
r_scangle_it
9.498
11.603
3998
X-RAY DIFFRACTION
r_scangle_other
9.497
11.603
3999
X-RAY DIFFRACTION
r_lrange_it
12.081
144.839
23166
X-RAY DIFFRACTION
r_lrange_other
12.08
144.837
23167
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20
解像度 (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Rfactor all
Num. reflection all
Fsc free
Fsc work
% reflection obs (%)
WRfactor Rwork
2.711-2.781
0.464
20
0.389
361
0.393
2132
0.682
0.692
17.8705
0.385
2.781-2.857
0.342
41
0.336
786
0.336
2078
0.842
0.832
39.7979
0.325
2.857-2.94
0.327
70
0.312
1110
0.312
2023
0.813
0.821
58.3292
0.3
2.94-3.031
0.317
71
0.298
1381
0.299
1986
0.841
0.848
73.1118
0.284
3.031-3.13
0.256
82
0.274
1655
0.273
1919
0.87
0.881
90.5159
0.257
3.13-3.239
0.236
81
0.254
1776
0.253
1862
0.914
0.897
99.7315
0.227
3.239-3.362
0.273
78
0.238
1711
0.24
1789
0.897
0.902
100
0.215
3.362-3.499
0.294
78
0.227
1662
0.23
1740
0.884
0.921
100
0.203
3.499-3.654
0.283
84
0.227
1453
0.23
1646
0.902
0.929
93.3779
0.211
3.654-3.832
0.261
59
0.221
1222
0.223
1609
0.92
0.926
79.6147
0.202
3.832-4.038
0.266
73
0.203
1440
0.206
1513
0.92
0.936
100
0.187
4.038-4.283
0.232
56
0.192
1382
0.194
1438
0.934
0.945
100
0.183
4.283-4.577
0.225
71
0.192
1298
0.193
1371
0.933
0.949
99.8541
0.184
4.577-4.943
0.188
55
0.159
1216
0.16
1271
0.96
0.967
100
0.157
4.943-5.412
0.262
63
0.192
1113
0.195
1176
0.947
0.956
100
0.187
5.412-6.048
0.256
46
0.212
1026
0.214
1072
0.947
0.952
100
0.211
6.048-6.976
0.262
50
0.208
902
0.211
952
0.929
0.938
100
0.22
6.976-8.528
0.283
33
0.202
796
0.205
830
0.895
0.936
99.8795
0.219
8.528-11.99
0.227
38
0.203
617
0.204
655
0.958
0.961
100
0.227
11.99-78.679
0.236
22
0.461
375
0.45
405
0.923
0.822
98.0247
0.586
精密化 TLS
手法: refined / Origin x: -83.517 Å / Origin y: 27.1096 Å / Origin z: 96.1277 Å