解像度: 2.3→30 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.907 / SU B: 5.712 / SU ML: 0.142 / 交差検証法: THROUGHOUT / ESU R: 0.334 / ESU R Free: 0.229 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.22742
3511
5 %
RANDOM
Rwork
0.17121
-
-
-
obs
0.17399
66037
98.29 %
-
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: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK
原子変位パラメータ
Biso mean: 23.881 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.49 Å2
0 Å2
0 Å2
2-
-
0.49 Å2
0 Å2
3-
-
-
-0.97 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.3→30 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
11236
0
30
842
12108
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.012
0.021
11472
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
10776
X-RAY DIFFRACTION
r_angle_refined_deg
1.321
1.959
15562
X-RAY DIFFRACTION
r_angle_other_deg
0.745
3
24840
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.449
5
1454
X-RAY DIFFRACTION
r_chiral_restr
0.076
0.2
1756
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
12920
X-RAY DIFFRACTION
r_gen_planes_other
0.003
0.02
2374
X-RAY DIFFRACTION
r_nbd_refined
0.228
0.3
2556
X-RAY DIFFRACTION
r_nbd_other
0.262
0.3
13167
X-RAY DIFFRACTION
r_nbtor_other
0.089
0.5
7131
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.215
0.5
1193
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.082
0.3
17
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.268
0.3
101
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.23
0.5
46
X-RAY DIFFRACTION
r_mcbond_it
0.995
2
7232
X-RAY DIFFRACTION
r_mcangle_it
1.692
3
11558
X-RAY DIFFRACTION
r_scbond_it
0.991
2
4240
X-RAY DIFFRACTION
r_scangle_it
1.694
3
4004
LS精密化 シェル
解像度: 2.302→2.362 Å / Total num. of bins used: 20 /