Resolution: 1.95→1.98 Å / Redundancy: 5.6 % / Rmerge(I) obs: 0.668 / Mean I/σ(I) obs: 2.2 / % possible all: 100
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Processing
Software
Name
Version
Classification
Blu-Ice
datacollection
PHASER
phasing
REFMAC
5.6.0117
refinement
DENZO
datareduction
SCALEPACK
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.95→32.9 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.928 / SU B: 8.865 / SU ML: 0.135 / Cross valid method: THROUGHOUT / ESU R: 0.186 / ESU R Free: 0.172 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT. LARGE UNACCOUNTED FOR ELECTRON DENSITY PRESENT NEAR (-9.427, 14.785, 50.439). There are several strong positive electron density features ...Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT. LARGE UNACCOUNTED FOR ELECTRON DENSITY PRESENT NEAR (-9.427, 14.785, 50.439). There are several strong positive electron density features that the authors were unable to identify. These are close to side chains L55, H181 and H214.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26411
1752
5 %
RANDOM
Rwork
0.21431
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-
-
obs
0.2169
33113
99.95 %
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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