THE LEUPEPTIN IS SUPPOSED TO BE COVALENTLY CONNECTED TO ACTIVE_SITE CYS 97 OF THE ENZYME TO FORM A ...THE LEUPEPTIN IS SUPPOSED TO BE COVALENTLY CONNECTED TO ACTIVE_SITE CYS 97 OF THE ENZYME TO FORM A HEMITHIOACETAL, BUT THE DISTANCES ARE BEYOND 2.3 ANGSTROMS.
配列の詳細
THERE IS A DISCREPANCY IN THE NORINE AND PDB NUMBERING, AS NORINE COUNTS ACE AND LEU TOGETHER AS ...THERE IS A DISCREPANCY IN THE NORINE AND PDB NUMBERING, AS NORINE COUNTS ACE AND LEU TOGETHER AS ONE RESIDUE. SO THE DBREF WILL REPORT 4 PDB RESIDUES MATCHING NORINE 3 RESIDUE
解像度: 2.5→19.43 Å / Cor.coef. Fo:Fc: 0.941 / Cor.coef. Fo:Fc free: 0.905 / SU B: 10.536 / SU ML: 0.226 / Isotropic thermal model: Isotropic / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.501 / ESU R Free: 0.302 立体化学のターゲット値: MAXIMUM LIKELIHOOD WITH PHASES 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.26889
1491
5.1 %
RANDOM
Rwork
0.21017
-
-
-
obs
0.21321
27861
100 %
-
all
-
27861
-
-
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK
原子変位パラメータ
Biso mean: 35.859 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.03 Å2
0 Å2
0 Å2
2-
-
0.03 Å2
0 Å2
3-
-
-
-0.05 Å2
Refine analyze
Luzzati coordinate error obs: 0.372 Å / Luzzati d res low obs: 2.5 Å