解像度: 1.7→46.21 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.932 / SU B: 3.969 / SU ML: 0.061 / Isotropic thermal model: isotropic, TLS / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.101 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE
Rfactor
反射数
%反射
Selection details
Rfree
0.196
1539
5.1 %
RANDOM
Rwork
0.163
-
-
-
all
0.164
30108
-
-
obs
0.164
29890
99.3 %
-
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: 10.44 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.2 Å2
0 Å2
0 Å2
2-
-
-0.27 Å2
0 Å2
3-
-
-
0.47 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.7→46.21 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2110
0
36
308
2454
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.015
0.021
2267
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
1532
X-RAY DIFFRACTION
r_angle_refined_deg
1.639
1.973
3105
X-RAY DIFFRACTION
r_angle_other_deg
0.976
3
3720
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.297
5
289
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.253
22.778
108
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.238
15
349
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.169
15
20
X-RAY DIFFRACTION
r_chiral_restr
0.1
0.2
336
X-RAY DIFFRACTION
r_gen_planes_refined
0.008
0.021
2565
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
484
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
0.808
1.5
1377
X-RAY DIFFRACTION
r_mcbond_other
0.284
1.5
551
X-RAY DIFFRACTION
r_mcangle_it
1.287
2
2242
X-RAY DIFFRACTION
r_scbond_it
2.133
3
890
X-RAY DIFFRACTION
r_scangle_it
3.219
4.5
853
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: 1.7→1.74 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.211
107
-
Rwork
0.174
1949
-
obs
-
-
93.03 %
精密化 TLS
手法: refined / Origin x: 15.319 Å / Origin y: -5.862 Å / Origin z: -24.564 Å