Resolution: 2.75→2.8 Å / Redundancy: 10.9 % / Mean I/σ(I) obs: 1.9 / Num. unique obs: 2314 / CC1/2: 0.634 / CC star: 0.881 / Rpim(I) all: 0.418 / Χ2: 0.997 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0411
refinement
HKL-3000
datareduction
HKL-3000
datascaling
PHENIX
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.75→28.22 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.901 / SU B: 34.487 / SU ML: 0.353 / Cross valid method: THROUGHOUT / ESU R Free: 0.086 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.28631
2322
5.1 %
RANDOM
Rwork
0.24022
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-
-
obs
0.2425
43575
99.88 %
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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: BABINET MODEL WITH MASK