解像度: 1.75→32.21 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.937 / SU B: 6.053 / SU ML: 0.087 / 交差検証法: THROUGHOUT / ESU R: 0.132 / ESU R Free: 0.127 / 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
0.22846
1284
5.1 %
RANDOM
Rwork
0.18612
-
-
-
obs
0.18842
24123
94.02 %
-
all
-
26960
-
-
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: MASK
原子変位パラメータ
Biso mean: 35.637 Å2
Baniso -1
Baniso -2
Baniso -3
1-
2.54 Å2
0 Å2
1.16 Å2
2-
-
-0.4 Å2
0 Å2
3-
-
-
-1.26 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.75→32.21 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2047
0
33
204
2284
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.019
2129
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
2050
X-RAY DIFFRACTION
r_angle_refined_deg
1.33
1.983
2881
X-RAY DIFFRACTION
r_angle_other_deg
0.778
3.001
4711
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.471
5
252
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.343
23.226
93
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.016
15
381
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
13.705
15
17
X-RAY DIFFRACTION
r_chiral_restr
0.076
0.2
315
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.021
2337
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
483
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: 1.746→1.791 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.343
56
-
Rwork
0.277
1099
-
obs
-
-
59.47 %
精密化 TLS
手法: refined / Origin x: -11.0605 Å / Origin y: 0.6524 Å / Origin z: -18.3697 Å