構造決定の手法: 多波長異常分散 / 解像度: 1.712→50 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.952 / SU B: 1.419 / SU ML: 0.048 / 交差検証法: THROUGHOUT / ESU R: 0.08 / ESU R Free: 0.083 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: INITIAL MODEL GENERATED BY ARP/WARP, SELENIUM C COEFFICIENT FOR STRUCTURE FACTOR CALCULATION SET TO -9.0000, MOLPROBITY USED TO ASSIST IN FINAL MODEL BUILDING.
Rfactor
反射数
%反射
Selection details
Rfree
0.18
3725
5 %
RANDOM
Rwork
0.149
-
-
-
all
0.15031
-
-
-
obs
0.15031
70173
99.86 %
-
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: BABINET MODEL WITH MASK
原子変位パラメータ
Biso mean: 14.97 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.51 Å2
0 Å2
0 Å2
2-
-
-0.1 Å2
0 Å2
3-
-
-
0.61 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.712→50 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
4092
0
0
741
4833
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.013
0.022
4233
X-RAY DIFFRACTION
r_angle_refined_deg
1.394
1.995
5747
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.463
5
519
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
30.567
24.611
180
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.324
15
707
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
9.11
15
11
X-RAY DIFFRACTION
r_chiral_restr
0.105
0.2
632
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
3215
X-RAY DIFFRACTION
r_nbd_refined
0.206
0.2
2004
X-RAY DIFFRACTION
r_nbtor_refined
0.314
0.2
2956
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.16
0.2
630
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.154
0.2
57
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.215
0.2
56
X-RAY DIFFRACTION
r_mcbond_it
1.22
2
2653
X-RAY DIFFRACTION
r_mcangle_it
2.059
4
4204
X-RAY DIFFRACTION
r_scbond_it
3.42
6
1778
X-RAY DIFFRACTION
r_scangle_it
4.931
8
1543
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20