構造決定の手法: 分子置換 / 解像度: 2.7→40.013 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.926 / 交差検証法: FREE R-VALUE / ESU R: 0.701 / ESU R Free: 0.325 詳細: Hydrogens have been used if present in the input file
Rfactor
反射数
%反射
Rfree
0.2558
11938
4.92 %
Rwork
0.2132
230718
-
all
0.215
-
-
obs
-
242656
99.301 %
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: 71.106 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.821 Å2
0 Å2
0.114 Å2
2-
-
4.489 Å2
0 Å2
3-
-
-
-2.294 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.7→40.013 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
48760
0
324
0
49084
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.008
0.012
49828
X-RAY DIFFRACTION
r_angle_refined_deg
1.663
1.648
67408
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
13.67
5
6216
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
5.722
5
452
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
19.467
10
9046
X-RAY DIFFRACTION
r_dihedral_angle_6_deg
15.777
10
2273
X-RAY DIFFRACTION
r_chiral_restr
0.126
0.2
7860
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
36516
X-RAY DIFFRACTION
r_nbd_refined
0.252
0.2
21634
X-RAY DIFFRACTION
r_nbtor_refined
0.314
0.2
34156
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.156
0.2
1407
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.168
0.2
53
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.258
0.2
13
X-RAY DIFFRACTION
r_mcbond_it
8.25
6.753
24972
X-RAY DIFFRACTION
r_mcangle_it
12.298
12.108
31152
X-RAY DIFFRACTION
r_scbond_it
10.028
7.358
24856
X-RAY DIFFRACTION
r_scangle_it
14.595
13.213
36256
X-RAY DIFFRACTION
r_lrange_it
19.433
69.074
71650
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20