解像度: 1.571→40.341 Å / SU ML: 0.19 / 交差検証法: FREE R-VALUE / σ(F): 0.03 / 位相誤差: 22.13 / 立体化学のターゲット値: ML 詳細: The sf file contains Bijvoet pairs (Fobs+ and Fobs-)
Rfactor
反射数
%反射
Rfree
0.2019
5652
5.08 %
Rwork
0.1815
-
-
obs
0.1825
111281
98.71 %
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
精密化ステップ
サイクル: LAST / 解像度: 1.571→40.341 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
3398
0
28
353
3779
拘束条件
Refine-ID
タイプ
Dev ideal
数
X-RAY DIFFRACTION
f_bond_d
0.006
3507
X-RAY DIFFRACTION
f_angle_d
0.867
4758
X-RAY DIFFRACTION
f_dihedral_angle_d
17.257
2122
X-RAY DIFFRACTION
f_chiral_restr
0.055
526
X-RAY DIFFRACTION
f_plane_restr
0.005
612
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 (%)
1.571-1.5889
0.3908
153
0.3085
2312
X-RAY DIFFRACTION
66
1.5889-1.6076
0.3126
207
0.2903
3546
X-RAY DIFFRACTION
99
1.6076-1.6272
0.3403
197
0.2785
3532
X-RAY DIFFRACTION
100
1.6272-1.6478
0.3059
212
0.2692
3557
X-RAY DIFFRACTION
100
1.6478-1.6694
0.3322
204
0.2643
3537
X-RAY DIFFRACTION
100
1.6694-1.6923
0.2881
184
0.261
3573
X-RAY DIFFRACTION
100
1.6923-1.7165
0.2866
173
0.2628
3601
X-RAY DIFFRACTION
100
1.7165-1.7421
0.2483
157
0.2522
3559
X-RAY DIFFRACTION
100
1.7421-1.7693
0.2565
193
0.2444
3582
X-RAY DIFFRACTION
100
1.7693-1.7983
0.2732
196
0.2246
3514
X-RAY DIFFRACTION
100
1.7983-1.8294
0.2293
209
0.2156
3573
X-RAY DIFFRACTION
100
1.8294-1.8626
0.2452
168
0.2066
3560
X-RAY DIFFRACTION
100
1.8626-1.8984
0.2149
208
0.1985
3590
X-RAY DIFFRACTION
100
1.8984-1.9372
0.1887
209
0.1879
3521
X-RAY DIFFRACTION
100
1.9372-1.9793
0.1957
190
0.1849
3559
X-RAY DIFFRACTION
100
1.9793-2.0254
0.2114
202
0.1836
3544
X-RAY DIFFRACTION
100
2.0254-2.076
0.213
208
0.1853
3543
X-RAY DIFFRACTION
100
2.076-2.1321
0.2002
166
0.1779
3583
X-RAY DIFFRACTION
100
2.1321-2.1949
0.1723
222
0.1785
3551
X-RAY DIFFRACTION
100
2.1949-2.2657
0.1866
220
0.1788
3471
X-RAY DIFFRACTION
100
2.2657-2.3467
0.2231
169
0.171
3636
X-RAY DIFFRACTION
100
2.3467-2.4406
0.1827
172
0.177
3569
X-RAY DIFFRACTION
100
2.4406-2.5517
0.2107
204
0.1809
3551
X-RAY DIFFRACTION
100
2.5517-2.6862
0.2301
180
0.1808
3614
X-RAY DIFFRACTION
100
2.6862-2.8544
0.2181
164
0.1795
3583
X-RAY DIFFRACTION
100
2.8544-3.0748
0.1768
185
0.1734
3560
X-RAY DIFFRACTION
100
3.0748-3.384
0.1909
212
0.165
3532
X-RAY DIFFRACTION
100
3.384-3.8734
0.1842
170
0.1568
3580
X-RAY DIFFRACTION
100
3.8734-4.8787
0.1453
156
0.1494
3634
X-RAY DIFFRACTION
100
4.8787-40.3539
0.1882
162
0.1816
3562
X-RAY DIFFRACTION
100
精密化 TLS
手法: refined / Origin x: 55.6387 Å / Origin y: -11.4404 Å / Origin z: 81.8535 Å