Resolution: 1.4→1.42 Å / Redundancy: 3 % / Rmerge(I) obs: 0.199 / Mean I/σ(I) obs: 4.77 / Num. unique all: 3333 / % possible all: 96.1
-
Processing
Software
Name
Version
Classification
HKL-3000
datacollection
PHASER
phasing
REFMAC
5.7.0029
refinement
HKL-3000
datareduction
HKL-3000
datascaling
Refinement
Method to determine structure: SAD / Resolution: 1.4→25 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.941 / SU B: 2.007 / SU ML: 0.043 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.087 / ESU R Free: 0.074 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2134
3458
5.1 %
RANDOM
Rwork
0.18328
-
-
-
all
0.18482
64702
-
-
obs
0.18328
64702
97.77 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK