温度: 293 K / 手法: 脂質キュービック相法 詳細: 30 or 50 nl bolus overlaid with 600 nl precipitant solution in CrystalDirect plate-2. 41% PEG 400, 100 mM HEPES pH 7.5, 75 mM magnesium sulfate and 5% DMSO. Crystallisation experiments were ...詳細: 30 or 50 nl bolus overlaid with 600 nl precipitant solution in CrystalDirect plate-2. 41% PEG 400, 100 mM HEPES pH 7.5, 75 mM magnesium sulfate and 5% DMSO. Crystallisation experiments were carried out at the HTX facility of EMBL Grenoble. LCP bolus were harvested automatically at cryogenic condition using CrystalDirect technology.
解像度: 2.6→46.18 Å / Cor.coef. Fo:Fc: 0.855 / Cor.coef. Fo:Fc free: 0.839 / SU R Cruickshank DPI: 0.424 / 交差検証法: THROUGHOUT / SU R Blow DPI: 0.428 / SU Rfree Blow DPI: 0.294 / SU Rfree Cruickshank DPI: 0.296
Rfactor
反射数
%反射
Selection details
Rfree
0.28
885
-
RANDOM
Rwork
0.2315
-
-
-
obs
0.234
17701
100 %
-
原子変位パラメータ
Biso mean: 84.84 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-21.6831 Å2
0 Å2
0 Å2
2-
-
4.1797 Å2
0 Å2
3-
-
-
17.5034 Å2
Refine analyze
Luzzati coordinate error obs: 0.42 Å
精密化ステップ
サイクル: LAST / 解像度: 2.6→46.18 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2855
0
36
60
2951
拘束条件
Refine-ID
タイプ
Dev ideal
数
Restraint function
Weight
X-RAY DIFFRACTION
t_bond_d
0.01
2959
HARMONIC
2
X-RAY DIFFRACTION
t_angle_deg
1.06
4028
HARMONIC
2
X-RAY DIFFRACTION
t_dihedral_angle_d
988
SINUSOIDAL
2
X-RAY DIFFRACTION
t_gen_planes
478
HARMONIC
5
X-RAY DIFFRACTION
t_it
2959
HARMONIC
10
X-RAY DIFFRACTION
t_chiral_improper_torsion
380
SEMIHARMONIC
5
X-RAY DIFFRACTION
t_ideal_dist_contact
2373
SEMIHARMONIC
4
X-RAY DIFFRACTION
t_omega_torsion
2.93
X-RAY DIFFRACTION
t_other_torsion
20.35
LS精密化 シェル
解像度: 2.6→2.62 Å
Rfactor
反射数
%反射
Rfree
0.3495
20
-
Rwork
0.3224
-
-
obs
0.3237
403
100 %
精密化 TLS
Origin x: 20.4852 Å / Origin y: 5.6041 Å / Origin z: -40.0276 Å