構造決定の手法: 分子置換 開始モデル: in house 解像度: 1.82→55.02 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.942 / SU R Cruickshank DPI: 0.169 / 交差検証法: THROUGHOUT / SU R Blow DPI: 0.164 / SU Rfree Blow DPI: 0.14 / SU Rfree Cruickshank DPI: 0.143
Rfactor
反射数
%反射
Selection details
Rfree
0.2184
1357
-
RANDOM
Rwork
0.1924
-
-
-
obs
0.1937
26990
77 %
-
原子変位パラメータ
Biso mean: 53.8 Å2
Baniso -1
Baniso -2
Baniso -3
1-
6.2946 Å2
0 Å2
-7.0252 Å2
2-
-
-7.1045 Å2
0 Å2
3-
-
-
0.8098 Å2
Refine analyze
Luzzati coordinate error obs: 0.25 Å
精密化ステップ
サイクル: LAST / 解像度: 1.82→55.02 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2847
0
33
79
2959
拘束条件
Refine-ID
タイプ
Dev ideal
数
Restraint function
Weight
X-RAY DIFFRACTION
t_bond_d
0.008
2939
HARMONIC
2
X-RAY DIFFRACTION
t_angle_deg
0.98
3970
HARMONIC
2
X-RAY DIFFRACTION
t_dihedral_angle_d
1035
SINUSOIDAL
2
X-RAY DIFFRACTION
t_gen_planes
490
HARMONIC
5
X-RAY DIFFRACTION
t_it
2939
HARMONIC
10
X-RAY DIFFRACTION
t_chiral_improper_torsion
382
SEMIHARMONIC
5
X-RAY DIFFRACTION
t_ideal_dist_contact
2223
SEMIHARMONIC
4
X-RAY DIFFRACTION
t_omega_torsion
3.29
X-RAY DIFFRACTION
t_other_torsion
17.48
LS精密化 シェル
解像度: 1.82→1.86 Å
Rfactor
反射数
%反射
Rfree
0.3199
32
-
Rwork
0.2657
-
-
obs
0.269
540
24.81 %
精密化 TLS
Origin x: -26.8758 Å / Origin y: -0.7872 Å / Origin z: 21.0478 Å