Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.99 Å / Relative weight: 1
Reflection
Resolution: 2.4→50 Å / Num. obs: 11485 / % possible obs: 98.8 % / Redundancy: 6.8 % / Net I/σ(I): 12.3
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0032
refinement
HKL-2000
datareduction
HKL-2000
datascaling
HKL-2000
phasing
Refinement
Resolution: 2.5→30.4 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.914 / SU B: 7.526 / SU ML: 0.162 / Cross valid method: THROUGHOUT / ESU R: 0.274 / ESU R Free: 0.226 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23816
486
4.8 %
RANDOM
Rwork
0.19216
-
-
-
obs
0.19431
9677
99.08 %
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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