解像度: 1.55→62.62 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.94 / SU B: 3.709 / SU ML: 0.062 / 交差検証法: THROUGHOUT / ESU R: 0.094 / ESU R Free: 0.095 / 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
0.24735
1423
5.1 %
RANDOM
Rwork
0.21519
-
-
-
all
0.21681
28173
-
-
obs
0.21681
26749
97.51 %
-
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: 29.393 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.21 Å2
0 Å2
0 Å2
2-
-
0.51 Å2
0 Å2
3-
-
-
-0.72 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.55→62.62 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1403
0
14
117
1534
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.01
0.021
1445
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.234
1.955
1955
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
4.566
5
177
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.671
24.028
72
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.935
15
247
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
13.002
15
13
X-RAY DIFFRACTION
r_chiral_restr
0.081
0.2
212
X-RAY DIFFRACTION
r_gen_planes_refined
0.004
0.02
1109
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
0.211
0.2
654
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
0.305
0.2
996
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.178
0.2
135
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
0.237
0.2
32
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.267
0.2
16
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
1.034
1.5
910
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.666
2
1416
X-RAY DIFFRACTION
r_scbond_it
2.279
3
600
X-RAY DIFFRACTION
r_scangle_it
3.567
4.5
539
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: 1.548→1.588 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.346
108
-
Rwork
0.259
1832
-
obs
-
-
93.05 %
精密化 TLS
手法: refined / Origin x: 14.8583 Å / Origin y: 18.0624 Å / Origin z: 45.6779 Å