Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 2.3→50 Å / Num. obs: 14491 / % possible obs: 98.9 % / Redundancy: 5.9 % / Rmerge(I) obs: 0.116 / Net I/σ(I): 29.3
Reflection shell
Resolution: 2.3→2.34 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.584 / Mean I/σ(I) obs: 3.2 / Num. unique obs: 696 / % possible all: 93.2
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Processing
Software
Name
Version
Classification
REFMAC
5.6.0117
refinement
HKL-2000
datareduction
HKL-2000
datascaling
MR-Rosetta
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: Generated from HHPred derived alignment Resolution: 2.3→47 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.929 / SU B: 17.617 / SU ML: 0.205 / Cross valid method: THROUGHOUT / ESU R: 0.555 / ESU R Free: 0.28 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26154
721
5.1 %
RANDOM
Rwork
0.21409
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obs
0.21651
13548
98.82 %
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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