解像度: 1.976→40 Å / Cor.coef. Fo:Fc: 0.924 / Cor.coef. Fo:Fc free: 0.863 / SU R Cruickshank DPI: 0.239 / 交差検証法: THROUGHOUT / SU R Blow DPI: 0.273 / SU Rfree Blow DPI: 0.219 / SU Rfree Cruickshank DPI: 0.208
Rfactor
反射数
%反射
Selection details
Rfree
0.2738
408
-
RANDOM
Rwork
0.2153
-
-
-
obs
0.2179
8490
83.8 %
-
原子変位パラメータ
Biso mean: 34.72 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-3.4277 Å2
0 Å2
0 Å2
2-
-
-6.6245 Å2
0 Å2
3-
-
-
10.0522 Å2
Refine analyze
Luzzati coordinate error obs: 0.33 Å
精密化ステップ
サイクル: LAST / 解像度: 1.976→40 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
994
0
29
104
1127
拘束条件
Refine-ID
タイプ
Dev ideal
数
Restraint function
Weight
X-RAY DIFFRACTION
t_bond_d
0.007
1057
HARMONIC
2
X-RAY DIFFRACTION
t_angle_deg
0.78
1455
HARMONIC
2
X-RAY DIFFRACTION
t_dihedral_angle_d
331
SINUSOIDAL
2
X-RAY DIFFRACTION
t_gen_planes
173
HARMONIC
5
X-RAY DIFFRACTION
t_it
1057
HARMONIC
10
X-RAY DIFFRACTION
t_chiral_improper_torsion
140
SEMIHARMONIC
5
X-RAY DIFFRACTION
t_ideal_dist_contact
909
SEMIHARMONIC
4
X-RAY DIFFRACTION
t_omega_torsion
2.49
X-RAY DIFFRACTION
t_other_torsion
14.68
LS精密化 シェル
解像度: 1.98→2 Å
Rfactor
反射数
%反射
Rfree
0.4472
21
-
Rwork
0.2703
-
-
obs
0.2781
425
99.54 %
精密化 TLS
Origin x: -11.6128 Å / Origin y: 2.6071 Å / Origin z: -9.4903 Å