解像度: 1.098→37.94 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.953 / SU R Cruickshank DPI: 0.04 / 交差検証法: THROUGHOUT / SU R Blow DPI: 0.039 / SU Rfree Blow DPI: 0.041 / SU Rfree Cruickshank DPI: 0.04
Rfactor
反射数
%反射
Selection details
Rfree
0.1978
1981
-
RANDOM
Rwork
0.172
-
-
-
obs
0.1733
39673
83.9 %
-
原子変位パラメータ
Biso mean: 17.3 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.1739 Å2
0 Å2
0 Å2
2-
-
-0.1972 Å2
0 Å2
3-
-
-
0.0233 Å2
Refine analyze
Luzzati coordinate error obs: 0.14 Å
精密化ステップ
サイクル: LAST / 解像度: 1.098→37.94 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1043
0
37
115
1195
拘束条件
Refine-ID
タイプ
Dev ideal
数
Restraint function
Weight
X-RAY DIFFRACTION
t_bond_d
0.01
2206
HARMONIC
2
X-RAY DIFFRACTION
t_angle_deg
0.92
4004
HARMONIC
2
X-RAY DIFFRACTION
t_dihedral_angle_d
636
SINUSOIDAL
2
X-RAY DIFFRACTION
t_gen_planes
327
HARMONIC
5
X-RAY DIFFRACTION
t_it
1087
HARMONIC
10
X-RAY DIFFRACTION
t_chiral_improper_torsion
144
SEMIHARMONIC
5
X-RAY DIFFRACTION
t_sum_occupancies
3
HARMONIC
1
X-RAY DIFFRACTION
t_ideal_dist_contact
1891
SEMIHARMONIC
4
X-RAY DIFFRACTION
t_omega_torsion
3.62
X-RAY DIFFRACTION
t_other_torsion
14.42
LS精密化 シェル
解像度: 1.1→1.14 Å
Rfactor
反射数
%反射
Rfree
0.2065
41
-
Rwork
0.1906
-
-
obs
0.1916
794
16.71 %
精密化 TLS
Origin x: -12.7114 Å / Origin y: 9.347 Å / Origin z: -12.2231 Å