Resolution: 2.55→2.64 Å / Redundancy: 11.6 % / Mean I/σ(I) obs: 4.32 / Num. unique all: 1876 / Rsym value: 0.5 / % possible all: 99.8
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Processing
Software
Name
Version
Classification
MAR345dtb
datacollection
PHASER
phasing
REFMAC
5.8.0073
refinement
HKL-2000
datareduction
HKL-2000
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: Model obtained from low resolution anomalous data Resolution: 2.55→50 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.916 / SU B: 23.695 / SU ML: 0.238 / Cross valid method: THROUGHOUT / ESU R Free: 0.328 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24954
975
5.1 %
RANDOM
Rwork
0.19291
-
-
-
obs
0.19573
17989
99.78 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1 Å / Solvent model: MASK