Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.1→29.32 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.943 / SU B: 7.707 / SU ML: 0.108 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.207 / ESU R Free: 0.16 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY. HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT. USED NEW NCSR LOCAL IN REFMAC5
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.19612
2379
5.1 %
RANDOM
Rwork
0.16266
-
-
-
obs
0.16437
44612
99.87 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK