Resolution: 2.2→2.24 Å / Redundancy: 21.9 % / Rmerge(I) obs: 0.394 / Mean I/σ(I) obs: 12.3 / Num. unique all: 1262 / % possible all: 100
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Processing
Software
Name
Version
Classification
HKL-2000
datacollection
PHENIX
modelbuilding
REFMAC
5.6.0117
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHENIX
phasing
Refinement
Method to determine structure: MAD / Resolution: 2.2→50 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.92 / SU B: 9.652 / SU ML: 0.197 / Cross valid method: THROUGHOUT / ESU R: 0.052 / ESU R Free: 0.046 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26331
1300
5.1 %
RANDOM
Rwork
0.20186
-
-
-
obs
0.20494
24210
99.5 %
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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