解像度: 1.9→44.21 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.96 / SU B: 6.602 / SU ML: 0.087 / 交差検証法: THROUGHOUT / ESU R: 0.138 / ESU R Free: 0.124 / 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
0.19559
1071
5.1 %
RANDOM
Rwork
0.16508
-
-
-
obs
0.16664
19879
99.99 %
-
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: 30.94 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.09 Å2
-0 Å2
-0 Å2
2-
-
0.09 Å2
-0 Å2
3-
-
-
-0.18 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.9→44.21 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2031
0
6
89
2126
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.013
0.017
2075
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.019
1854
X-RAY DIFFRACTION
r_angle_refined_deg
1.513
1.84
2820
X-RAY DIFFRACTION
r_angle_other_deg
1.196
2.664
4260
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.283
5
278
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.812
21.979
96
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.819
15
299
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.804
15
12
X-RAY DIFFRACTION
r_chiral_restr
0.088
0.2
312
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.02
2461
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
495
X-RAY DIFFRACTION
r_mcbond_it
0.908
2.258
1115
X-RAY DIFFRACTION
r_mcbond_other
0.907
2.257
1114
X-RAY DIFFRACTION
r_mcangle_it
1.34
3.382
1392
X-RAY DIFFRACTION
r_mcangle_other
1.339
3.383
1393
X-RAY DIFFRACTION
r_scbond_it
1.637
2.513
960
X-RAY DIFFRACTION
r_scbond_other
1.635
2.504
958
X-RAY DIFFRACTION
r_scangle_other
2.672
3.67
1426
X-RAY DIFFRACTION
r_long_range_B_refined
3.957
27.394
2311
X-RAY DIFFRACTION
r_long_range_B_other
3.954
27.265
2300
LS精密化 シェル
解像度: 1.9→1.949 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.516
79
-
Rwork
0.508
1431
-
obs
-
-
100 %
精密化 TLS
手法: refined / Origin x: 16.555 Å / Origin y: -12.766 Å / Origin z: -0.178 Å