マシュー密度: 2.4 Å3/Da / 溶媒含有率: 49 % / 解説: 1BGS & 2BRS ARE THE COMPLEX OF BARSTAR WITH BARNASE
結晶化
pH: 6.5 詳細: C82A MUTANT WAS CRYSTALLIZED FROM 40-60% AMMONIUM SULFATE, 50MM PHOSPHATE, PH=6.5. PROTEIN CONC=45 MG/ML. C40A AND DTNB LABELLED CRYSTALS ALSO CRYSTALLIZED BUT DID NOT DIFFRACT TO HIGH RESOLUTION.
解像度: 2.76→10 Å / Rfactor Rfree error: 0.012 / Data cutoff high absF: 10000000 / Data cutoff low absF: 0.01 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 1 詳細: MET PRESENT AT N-TERMINUS DURING EXPRESSION IS NOT INCLUDED IN THE SEQUENCE OR THE STRUCTURE.
Rfactor
反射数
%反射
Selection details
Rfree
0.292
618
15.1 %
RANDOM
Rwork
0.203
-
-
-
obs
0.203
4081
85 %
-
原子変位パラメータ
Biso mean: 48.4 Å2
Refine analyze
Free
Obs
Luzzati coordinate error
0.52 Å
0.4 Å
Luzzati d res low
-
5 Å
Luzzati sigma a
0.59 Å
0.57 Å
精密化ステップ
サイクル: LAST / 解像度: 2.76→10 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1438
0
0
0
1438
拘束条件
Refine-ID
タイプ
Dev ideal
X-RAY DIFFRACTION
x_bond_d
0.008
X-RAY DIFFRACTION
x_bond_d_na
X-RAY DIFFRACTION
x_bond_d_prot
X-RAY DIFFRACTION
x_angle_d
X-RAY DIFFRACTION
x_angle_d_na
X-RAY DIFFRACTION
x_angle_d_prot
X-RAY DIFFRACTION
x_angle_deg
1.2
X-RAY DIFFRACTION
x_angle_deg_na
X-RAY DIFFRACTION
x_angle_deg_prot
X-RAY DIFFRACTION
x_dihedral_angle_d
26.8
X-RAY DIFFRACTION
x_dihedral_angle_d_na
X-RAY DIFFRACTION
x_dihedral_angle_d_prot
X-RAY DIFFRACTION
x_improper_angle_d
0.54
X-RAY DIFFRACTION
x_improper_angle_d_na
X-RAY DIFFRACTION
x_improper_angle_d_prot
X-RAY DIFFRACTION
x_mcbond_it
X-RAY DIFFRACTION
x_mcangle_it
X-RAY DIFFRACTION
x_scbond_it
X-RAY DIFFRACTION
x_scangle_it
Refine LS restraints NCS
NCS model details: RESTRAINED, 100 KCAL/MOL WEIGHT FINAL POSITIONAL REFINEMENT USING ALL REFLECTIONS AND REMOVING NCS RESTRAINTS.
LS精密化 シェル
解像度: 2.8→2.9 Å / Rfactor Rfree error: 0.081 / Total num. of bins used: 10