Resolution: 1.449→1.48 Å / Redundancy: 6.6 % / Rmerge(I) obs: 0.249 / Mean I/σ(I) obs: 10.07 / Num. unique all: 1475 / Rsym value: 0.212 / % possible all: 98.7
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Processing
Software
Name
Version
Classification
HKL-3000
datacollection
HKL-3000
phasing
REFMAC
5.7.0029
refinement
HKL-3000
datareduction
HKL-3000
datascaling
Refinement
Method to determine structure: SAD / Resolution: 1.449→24.52 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.947 / SU B: 1.208 / SU ML: 0.047 / Cross valid method: THROUGHOUT / ESU R: 0.07 / ESU R Free: 0.075 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21678
1540
5 %
RANDOM
Rwork
0.17649
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-
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all
0.17845
29002
-
-
obs
0.17845
29002
99.66 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK