A: CYCLOPHILIN A B: CYCLOPHILIN A C: CYCLOPHILIN A D: CYCLOPHILIN A E: CYCLOPHILIN A F: CYCLOPHILIN A G: PEPTIDE FROM THE HIV-1 CAPSID PROTEIN H: PEPTIDE FROM THE HIV-1 CAPSID PROTEIN I: PEPTIDE FROM THE HIV-1 CAPSID PROTEIN J: PEPTIDE FROM THE HIV-1 CAPSID PROTEIN K: PEPTIDE FROM THE HIV-1 CAPSID PROTEIN L: PEPTIDE FROM THE HIV-1 CAPSID PROTEIN
解像度: 1.58→15 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 1000000 / Data cutoff low absF: 0.001 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 詳細: BULK SOLVENT MODEL USED THE HIGH R-VALUE FOR THIS STRUCTURE STEMS FROM THE EXTREME NON-RANDOM DISTRIBUTION OF STRUCTURE FACTOR AMPLITUDES IN THE DATA. THE STRUCTURE HAS BEEN CONFIRMED IN BOTH ...詳細: BULK SOLVENT MODEL USED THE HIGH R-VALUE FOR THIS STRUCTURE STEMS FROM THE EXTREME NON-RANDOM DISTRIBUTION OF STRUCTURE FACTOR AMPLITUDES IN THE DATA. THE STRUCTURE HAS BEEN CONFIRMED IN BOTH THE PSEUDO-SPACE GROUP AND THE TRUE-SPACE GROUP BY THE MAD METHOD (PDB CODES 1AWS AND 1AWT FOR THE PSEUDO- AND TRUE- SPACE GROUPS, RESPECTIVELY).
Rfactor
反射数
%反射
Selection details
Rfree
0.461
5691
5.1 %
RANDOM
Rwork
0.394
-
-
-
obs
0.394
112527
88.3 %
-
原子変位パラメータ
Biso mean: 16.6 Å2
Refine analyze
Free
Obs
Luzzati coordinate error
0.52 Å
0.41 Å
Luzzati d res low
-
5 Å
Luzzati sigma a
0.42 Å
0.37 Å
精密化ステップ
サイクル: LAST / 解像度: 1.58→15 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
5032
0
120
0
5152
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
X-RAY DIFFRACTION
x_bond_d
0.013
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
1.6
X-RAY DIFFRACTION
x_angle_deg_na
X-RAY DIFFRACTION
x_angle_deg_prot
X-RAY DIFFRACTION
x_dihedral_angle_d
25.7
X-RAY DIFFRACTION
x_dihedral_angle_d_na
X-RAY DIFFRACTION
x_dihedral_angle_d_prot
X-RAY DIFFRACTION
x_improper_angle_d
1.46
X-RAY DIFFRACTION
x_improper_angle_d_na
X-RAY DIFFRACTION
x_improper_angle_d_prot
X-RAY DIFFRACTION
x_mcbond_it
2.21
1.5
X-RAY DIFFRACTION
x_mcangle_it
2.93
2
X-RAY DIFFRACTION
x_scbond_it
3.31
2
X-RAY DIFFRACTION
x_scangle_it
3.88
2.5
LS精密化 シェル
解像度: 1.58→1.68 Å / Rfactor Rfree error: 0.022 / Total num. of bins used: 6