035(A 463) AND 036(A 716) ARE TWO ENANTIOMERS OF THE RACEMIC MIXTURE USED FOR CRYSTALLIZATION AND ...035(A 463) AND 036(A 716) ARE TWO ENANTIOMERS OF THE RACEMIC MIXTURE USED FOR CRYSTALLIZATION AND MODELED AT HALF OCCUPANCY INTO THE SAME ACTIVE SITE. 036(B 463) AND 035(B 771) ARE TWO ENANTIOMERS OF THE RACEMIC MIXTURE USED FOR CRYSTALLIZATION AND MODELED AT HALF OCCUPANCY INTO THE SAME ACTIVE SITE.
解像度: 2.35→50.9 Å / Cor.coef. Fo:Fc: 0.948 / Cor.coef. Fo:Fc free: 0.927 / Occupancy max: 1 / Occupancy min: 0.5 / FOM work R set: 0.8983 / SU B: 9.029 / SU ML: 0.102 / SU R Cruickshank DPI: 0.1909 / SU Rfree: 0.1639 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.193 / ESU R Free: 0.165 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES: WITH TLS ADDED
Rfactor
反射数
%反射
Selection details
Rfree
0.19576
3273
5 %
RANDOM
Rwork
0.16246
-
-
-
obs
0.16412
62565
99.96 %
-
all
-
65888
-
-
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