THE NUMBER 126 IS SIMPLY SKIPPED IN THE ENTRY TO KEEP THE ACTIVE CENTER RESIDUES NUMBERING BETWEEN ...THE NUMBER 126 IS SIMPLY SKIPPED IN THE ENTRY TO KEEP THE ACTIVE CENTER RESIDUES NUMBERING BETWEEN DIFFERENT CARBONIC ANHYDRASE ISOFORMS CONSISTENT.
解像度: 1.44→23.81 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.956 / WRfactor Rfree: 0.2 / WRfactor Rwork: 0.173 / Occupancy max: 1 / Occupancy min: 0 / FOM work R set: 0.882 / SU B: 2.739 / SU ML: 0.048 / SU R Cruickshank DPI: 0.096 / SU Rfree: 0.076 / 交差検証法: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R: 0.096 / ESU R Free: 0.076 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS; As for the UNK residue, it looks like it is a part of the MES molecule. There is only the ring, which is visible in the structure but -CH2- ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS; As for the UNK residue, it looks like it is a part of the MES molecule. There is only the ring, which is visible in the structure but -CH2-CH2-SO3 moiety is not fixed. So the depositors have decided to remove this moiety from the MES molecule, because at any rate they are not able to say anything reasonable about its orientation.
Rfactor
反射数
%反射
Selection details
Rfree
0.206
4248
10.1 %
RANDOM
Rwork
0.175
-
-
-
all
0.178
42193
-
-
obs
0.178
42193
97.63 %
-
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: 1.4 Å / 溶媒モデル: MASK