Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 1.6→20 Å / Num. obs: 15507 / % possible obs: 95.4 % / Redundancy: 3.7 % / Net I/σ(I): 24.1
Reflection shell
Resolution: 1.6→1.65 Å / Redundancy: 3.4 % / Rmerge(I) obs: 0.156 / % possible all: 86.1
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Processing
Software
Name
Version
Classification
REFMAC
5.6.0117
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHENIX
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.6→20 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.933 / SU B: 1.903 / SU ML: 0.067 / Cross valid method: THROUGHOUT / ESU R: 0.115 / ESU R Free: 0.103 Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT. Partial model determined from experimentally determined phases.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21969
773
4.7 %
RANDOM
Rwork
0.20404
-
-
-
obs
0.20479
15507
93.46 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å