解像度: 3.51→46.48 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.926 / SU B: 79.291 / SU ML: 0.495 / 交差検証法: THROUGHOUT / ESU R Free: 0.43 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
反射数
%反射
Selection details
Rfree
0.28918
375
6 %
RANDOM
Rwork
0.2568
-
-
-
obs
0.25894
5824
97.92 %
-
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
原子変位パラメータ
Biso mean: 146.395 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-13.08 Å2
-6.54 Å2
-0 Å2
2-
-
-13.08 Å2
-0 Å2
3-
-
-
19.63 Å2
精密化ステップ
サイクル: LAST / 解像度: 3.51→46.48 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
984
0
0
0
984
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.006
0.019
995
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
0.988
1.974
1334
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.107
5
123
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
33.388
22.128
47
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
22.316
15
194
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
13.221
15
14
X-RAY DIFFRACTION
r_chiral_restr
0.075
0.2
153
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.02
731
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
X-RAY DIFFRACTION
r_symmetry_hbond_other
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
X-RAY DIFFRACTION
r_symmetry_metal_ion_other
X-RAY DIFFRACTION
r_mcbond_it
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
X-RAY DIFFRACTION
r_scbond_it
X-RAY DIFFRACTION
r_scangle_it
X-RAY DIFFRACTION
r_rigid_bond_restr
1.408
3
995
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
82.521
5
984
LS精密化 シェル
解像度: 3.514→3.606 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.458
29
-
Rwork
0.395
343
-
obs
-
-
97.38 %
精密化 TLS
手法: refined / Origin x: 33.804 Å / Origin y: 32.205 Å / Origin z: 91.436 Å