解像度: 1.75→32.15 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.953 / SU B: 7.281 / SU ML: 0.107 / 交差検証法: THROUGHOUT / ESU R: 0.134 / ESU R Free: 0.117 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: U VALUES : WITH TLS ADDED HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : RESIDUAL ONLY
Rfactor
反射数
%反射
Selection details
Rfree
0.2244
1532
5 %
RANDOM
Rwork
0.20827
-
-
-
obs
0.20908
29090
99.17 %
-
溶媒の処理
イオンプローブ半径: 0.7 Å / 減衰半径: 0.7 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK
原子変位パラメータ
Biso mean: 29.616 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-3.37 Å2
-0 Å2
0 Å2
2-
-
2.36 Å2
-0 Å2
3-
-
-
1.01 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.75→32.15 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2343
0
6
133
2482
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.004
0.017
2450
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.019
2264
X-RAY DIFFRACTION
r_angle_refined_deg
1.071
1.852
3356
X-RAY DIFFRACTION
r_angle_other_deg
0.974
2.628
5230
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.087
5
293
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
30.294
21.704
135
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.94
15
371
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.305
15
17
X-RAY DIFFRACTION
r_chiral_restr
0.067
0.2
352
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.02
2758
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
564
X-RAY DIFFRACTION
r_mcbond_it
0.698
0.944
1169
X-RAY DIFFRACTION
r_mcbond_other
0.693
0.942
1168
X-RAY DIFFRACTION
r_mcangle_it
1.168
1.412
1463
X-RAY DIFFRACTION
r_mcangle_other
1.168
1.414
1464
X-RAY DIFFRACTION
r_scbond_it
0.937
1.026
1281
X-RAY DIFFRACTION
r_scbond_other
0.813
1.017
1276
X-RAY DIFFRACTION
r_scangle_other
1.303
1.495
1886
X-RAY DIFFRACTION
r_long_range_B_refined
4.977
11.718
2766
X-RAY DIFFRACTION
r_long_range_B_other
4.945
11.531
2755
LS精密化 シェル
解像度: 1.75→1.792 Å
Rfactor
反射数
%反射
Rfree
0.376
106
-
Rwork
0.369
2013
-
obs
-
-
94.64 %
精密化 TLS
手法: refined / Origin x: -10.156 Å / Origin y: 13.057 Å / Origin z: -17.473 Å