Resolution: 1.7→1.8 Å / Redundancy: 2.6 % / Rmerge(I) obs: 0.308 / Mean I/σ(I) obs: 2.2 / Num. unique obs: 8645 / Rsym value: 0.308 / % possible all: 97
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0124
refinement
SAINT
datareduction
SADABS
datascaling
PHASER
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.7→50 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.931 / SU B: 2.648 / SU ML: 0.085 / Cross valid method: THROUGHOUT / ESU R: 0.111 / ESU R Free: 0.115 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2336
2807
4.9 %
RANDOM
Rwork
0.18478
-
-
-
obs
0.18721
54336
98.99 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å