解像度: 1.89→53.36 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.946 / SU B: 7.22 / SU ML: 0.104 / 交差検証法: THROUGHOUT / ESU R: 0.133 / ESU R Free: 0.131 / 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
0.21975
1544
5.1 %
RANDOM
Rwork
0.17762
-
-
-
obs
0.17978
28530
97.01 %
-
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 Å / 溶媒モデル: MASK
原子変位パラメータ
Biso mean: 38.382 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.1 Å2
0.05 Å2
0 Å2
2-
-
0.1 Å2
-0 Å2
3-
-
-
-0.32 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.89→53.36 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2433
0
49
183
2665
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.014
0.019
2544
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
2165
X-RAY DIFFRACTION
r_angle_refined_deg
1.663
1.902
3490
X-RAY DIFFRACTION
r_angle_other_deg
1.166
2.925
5059
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.846
5
325
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
36.302
26.226
106
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.197
15
351
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
3.72
15
2
X-RAY DIFFRACTION
r_chiral_restr
0.107
0.2
398
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
2903
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
505
X-RAY DIFFRACTION
r_mcbond_it
1.433
1.918
1306
X-RAY DIFFRACTION
r_mcbond_other
1.369
1.913
1305
X-RAY DIFFRACTION
r_mcangle_it
2.338
2.862
1629
X-RAY DIFFRACTION
r_mcangle_other
2.359
2.867
1630
X-RAY DIFFRACTION
r_scbond_it
1.723
2.149
1237
X-RAY DIFFRACTION
r_scbond_other
1.723
2.155
1238
X-RAY DIFFRACTION
r_scangle_other
2.795
3.177
1861
X-RAY DIFFRACTION
r_long_range_B_refined
5.419
24.333
2846
X-RAY DIFFRACTION
r_long_range_B_other
5.297
23.819
2804
LS精密化 シェル
解像度: 1.89→1.939 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.281
112
-
Rwork
0.284
2043
-
obs
-
-
97.87 %
精密化 TLS
手法: refined / Origin x: 7.89 Å / Origin y: 22.568 Å / Origin z: -9.96 Å