解像度: 3.303→77.502 Å / Cor.coef. Fo:Fc: 0.873 / Cor.coef. Fo:Fc free: 0.856 / SU B: 47.584 / SU ML: 0.355 / 交差検証法: FREE R-VALUE / ESU R Free: 0.598 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2681
1132
5.084 %
Rwork
0.1943
21133
-
all
0.198
-
-
obs
-
22265
80.148 %
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: MASK BULK SOLVENT
原子変位パラメータ
Biso mean: 91.616 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-2.726 Å2
-1.363 Å2
-0 Å2
2-
-
-2.726 Å2
-0 Å2
3-
-
-
8.842 Å2
精密化ステップ
サイクル: LAST / 解像度: 3.303→77.502 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
8016
0
14
2
8032
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.002
0.011
8258
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.016
7066
X-RAY DIFFRACTION
r_angle_refined_deg
0.593
1.644
11305
X-RAY DIFFRACTION
r_angle_other_deg
0.226
1.548
16577
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
4.873
5
1068
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
5.72
10
33
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
9.223
10
1201
X-RAY DIFFRACTION
r_dihedral_angle_6_deg
9.566
10
320
X-RAY DIFFRACTION
r_chiral_restr
0.027
0.2
1277
X-RAY DIFFRACTION
r_gen_planes_refined
0.002
0.02
9416
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
1577
X-RAY DIFFRACTION
r_nbd_refined
0.16
0.2
1529
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.162
0.2
7087
X-RAY DIFFRACTION
r_nbtor_refined
0.164
0.2
4118
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.079
0.2
4035
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.11
0.2
178
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.017
0.2
1
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.058
0.2
20
X-RAY DIFFRACTION
r_nbd_other
0.07
0.2
60
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.09
0.2
8
X-RAY DIFFRACTION
r_mcbond_it
5.523
9.802
4293
X-RAY DIFFRACTION
r_mcbond_other
5.523
9.802
4293
X-RAY DIFFRACTION
r_mcangle_it
8.38
14.687
5348
X-RAY DIFFRACTION
r_mcangle_other
8.38
14.688
5349
X-RAY DIFFRACTION
r_scbond_it
4.84
9.861
3965
X-RAY DIFFRACTION
r_scbond_other
4.839
9.862
3966
X-RAY DIFFRACTION
r_scangle_it
7.308
14.762
5955
X-RAY DIFFRACTION
r_scangle_other
7.308
14.762
5956
X-RAY DIFFRACTION
r_lrange_it
14.563
182.316
30712
X-RAY DIFFRACTION
r_lrange_other
14.564
182.32
30712
X-RAY DIFFRACTION
r_rigid_bond_restr
0.683
3
15324
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20