解像度: 2→50 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.957 / SU B: 7.842 / SU ML: 0.107 / 交差検証法: THROUGHOUT / ESU R: 0.159 / ESU R Free: 0.148 / 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
0.2241
1250
5.1 %
RANDOM
Rwork
0.1827
-
-
-
obs
0.18468
23269
99.99 %
-
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: 46.244 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.25 Å2
0 Å2
0 Å2
2-
-
0.25 Å2
0 Å2
3-
-
-
-0.5 Å2
精密化ステップ
サイクル: LAST / 解像度: 2→50 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2380
0
0
70
2450
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.019
0.019
2437
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
2.007
1.98
3301
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.409
5
299
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
36.615
22.897
107
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
15.827
15
437
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.644
15
23
X-RAY DIFFRACTION
r_chiral_restr
0.142
0.2
369
X-RAY DIFFRACTION
r_gen_planes_refined
0.009
0.021
1821
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
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS精密化 シェル
解像度: 2→2.052 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.272
70
-
Rwork
0.222
1481
-
obs
-
-
100 %
精密化 TLS
手法: refined / Origin x: -10.063 Å / Origin y: 19.0989 Å / Origin z: -6.993 Å