解像度: 2.5→41.17 Å / Cor.coef. Fo:Fc: 0.938 / Cor.coef. Fo:Fc free: 0.893 / SU B: 20.212 / SU ML: 0.217 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: ISOTROPIC / 交差検証法: THROUGHOUT / ESU R: 1.807 / ESU R Free: 0.328 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: 1. HYDROGENS HAVE BEEN ADDED TO THE RIDING POSITIONS. 2. NAD WAS FITTED IN SUBUNIT B BASED ON WEAK ELECTRON DENSITY CORRESPONDING TO THE NAD LOCATION IN THE HOMOLOG (1FMC). IN THE OTHER ...詳細: 1. HYDROGENS HAVE BEEN ADDED TO THE RIDING POSITIONS. 2. NAD WAS FITTED IN SUBUNIT B BASED ON WEAK ELECTRON DENSITY CORRESPONDING TO THE NAD LOCATION IN THE HOMOLOG (1FMC). IN THE OTHER SUBUNITS, ELECTRON DENSITY IS SUGGESTIVE BUT TOO WEAKTO JUSTIFY FITTING NAD, PRESUMABLY DUE TO DIFFERING CRYSTAL CONTACTS. 3. THE DISULFIDE BOND (37-54) HAS NEGATIVE DIFFERENCE DENSITY IN ALL SUBUNITS, PRESUMABLY DUE TO RADIATION DAMAGE. 4. NCS IS BROKEN AT RESIDUES 54-61 AND 84/137, DUE TO CRYSTAL CONTACTS.
Rfactor
反射数
%反射
Selection details
Rfree
0.2468
1562
4.9 %
RANDOM
Rwork
0.19404
-
-
-
obs
0.19662
30035
85.03 %
-
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: BABINET MODEL WITH MASK