解像度: 2.7→43.974 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.909 / WRfactor Rfree: 0.273 / WRfactor Rwork: 0.196 / Average fsc free: 0.8624 / Average fsc work: 0.9061 / 交差検証法: FREE R-VALUE / ESU R Free: 0.427 詳細: Hydrogens have been used if present in the input file
Rfactor
反射数
%反射
Rfree
0.2769
860
5.032 %
Rwork
0.1947
16232
-
all
0.199
-
-
obs
-
17092
97.635 %
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: 68.42 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.164 Å2
0 Å2
-0.001 Å2
2-
-
-0.284 Å2
0 Å2
3-
-
-
0.406 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.7→43.974 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
4806
0
62
157
5025
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.005
0.012
4997
X-RAY DIFFRACTION
r_angle_refined_deg
1.459
1.663
6786
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.336
5
596
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.154
21.601
281
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
17.459
15
825
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.208
15
41
X-RAY DIFFRACTION
r_chiral_restr
0.118
0.2
616
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
3869
X-RAY DIFFRACTION
r_nbd_refined
0.234
0.2
2505
X-RAY DIFFRACTION
r_nbtor_refined
0.313
0.2
3316
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.194
0.2
198
X-RAY DIFFRACTION
r_metal_ion_refined
0.101
0.2
4
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.237
0.2
55
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.342
0.2
1
X-RAY DIFFRACTION
r_mcbond_it
4.949
6.858
2384
X-RAY DIFFRACTION
r_mcangle_it
7.834
10.276
2980
X-RAY DIFFRACTION
r_scbond_it
5.234
6.86
2613
X-RAY DIFFRACTION
r_scangle_it
7.655
10.221
3806
X-RAY DIFFRACTION
r_lrange_it
13.467
124.13
21699
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20