解像度: 3.516→46.18 Å / Cor.coef. Fo:Fc: 0.761 / Cor.coef. Fo:Fc free: 0.624 / Occupancy max: 1 / Occupancy min: 0.31 / SU B: 156.229 / SU ML: 1.107 / 交差検証法: THROUGHOUT / ESU R Free: 0.978 立体化学のターゲット値: MAXIMUM LIKELIHOOD WITH PHASES 詳細: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
反射数
%反射
Selection details
Rfree
0.39529
982
5.2 %
RANDOM
Rwork
0.33184
-
-
-
obs
0.33492
17754
95.9 %
-
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: 60.069 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.22 Å2
0 Å2
0.09 Å2
2-
-
0.19 Å2
0 Å2
3-
-
-
-0.41 Å2
精密化ステップ
サイクル: LAST / 解像度: 3.516→46.18 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
7978
0
270
0
8248
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.02
8444
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.554
1.989
11442
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.839
5
970
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
36.107
23.196
388
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
22.006
15
1382
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
18.726
15
66
X-RAY DIFFRACTION
r_chiral_restr
0.102
0.2
1244
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.021
6360
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: 3.516→3.607 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.404
124
-
Rwork
0.377
1114
-
obs
-
-
87.99 %
精密化 TLS
手法: refined / Origin x: -54.4753 Å / Origin y: -3.87 Å / Origin z: -29.913 Å