解像度: 1.668→40.73 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.939 / SU R Cruickshank DPI: 0.177 / 交差検証法: THROUGHOUT / SU R Blow DPI: 0.138 / SU Rfree Blow DPI: 0.119 / SU Rfree Cruickshank DPI: 0.11
Rfactor
反射数
%反射
Selection details
Rfree
0.2035
630
-
RANDOM
Rwork
0.1717
-
-
-
obs
0.1733
12902
88.2 %
-
原子変位パラメータ
Biso mean: 14.53 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.5713 Å2
0 Å2
0 Å2
2-
-
0.0402 Å2
0 Å2
3-
-
-
-0.6115 Å2
Refine analyze
Luzzati coordinate error obs: 0.21 Å
精密化ステップ
サイクル: LAST / 解像度: 1.668→40.73 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1043
0
33
178
1254
拘束条件
Refine-ID
タイプ
Dev ideal
数
Restraint function
Weight
X-RAY DIFFRACTION
t_bond_d
0.008
2186
HARMONIC
2
X-RAY DIFFRACTION
t_angle_deg
0.84
3963
HARMONIC
2
X-RAY DIFFRACTION
t_dihedral_angle_d
628
SINUSOIDAL
2
X-RAY DIFFRACTION
t_gen_planes
322
HARMONIC
5
X-RAY DIFFRACTION
t_it
1116
HARMONIC
10
X-RAY DIFFRACTION
t_chiral_improper_torsion
142
SEMIHARMONIC
5
X-RAY DIFFRACTION
t_sum_occupancies
2
HARMONIC
1
X-RAY DIFFRACTION
t_ideal_dist_contact
2020
SEMIHARMONIC
4
X-RAY DIFFRACTION
t_omega_torsion
3.29
X-RAY DIFFRACTION
t_other_torsion
14.33
LS精密化 シェル
解像度: 1.67→1.73 Å
Rfactor
反射数
%反射
Rfree
0.3785
20
-
Rwork
0.2425
-
-
obs
0.2497
417
30.05 %
精密化 TLS
Origin x: -9.6075 Å / Origin y: -3.2739 Å / Origin z: 8.5243 Å