解像度: 1.839→76.47 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.95 / SU R Cruickshank DPI: 0.104 / 交差検証法: THROUGHOUT / SU R Blow DPI: 0.105 / SU Rfree Blow DPI: 0.094 / SU Rfree Cruickshank DPI: 0.094
Rfactor
反射数
%反射
Selection details
Rfree
0.2049
2012
-
RANDOM
Rwork
0.1962
-
-
-
obs
0.1967
40071
96.4 %
-
原子変位パラメータ
Biso mean: 40.15 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.3426 Å2
0 Å2
0 Å2
2-
-
-1.3426 Å2
0 Å2
3-
-
-
2.6851 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: 1.839→76.47 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2185
0
18
118
2321
拘束条件
Refine-ID
タイプ
Dev ideal
数
Restraint function
Weight
X-RAY DIFFRACTION
t_bond_d
0.008
2398
HARMONIC
2
X-RAY DIFFRACTION
t_angle_deg
0.95
3269
HARMONIC
2
X-RAY DIFFRACTION
t_dihedral_angle_d
839
SINUSOIDAL
2
X-RAY DIFFRACTION
t_gen_planes
434
HARMONIC
5
X-RAY DIFFRACTION
t_it
2398
HARMONIC
10
X-RAY DIFFRACTION
t_chiral_improper_torsion
314
SEMIHARMONIC
5
X-RAY DIFFRACTION
t_sum_occupancies
13
HARMONIC
1
X-RAY DIFFRACTION
t_ideal_dist_contact
2160
SEMIHARMONIC
4
X-RAY DIFFRACTION
t_omega_torsion
3.58
X-RAY DIFFRACTION
t_other_torsion
15.73
LS精密化 シェル
解像度: 1.84→1.85 Å
Rfactor
反射数
%反射
Rfree
0.2254
51
-
Rwork
0.2117
-
-
obs
0.2125
802
96.36 %
精密化 TLS
Origin x: 42.8511 Å / Origin y: 16.4392 Å / Origin z: 15.3034 Å