Monochromator: Bartels monochromator with dual channel cut crystals Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.99987 Å / Relative weight: 1
Reflection
Resolution: 2.56→50 Å / Num. obs: 28265 / % possible obs: 95.2 % / Redundancy: 2.42 % / Net I/σ(I): 11.93
Reflection shell
Resolution: 2.56→2.71 Å / Mean I/σ(I) obs: 2.12 / % possible all: 80.3
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Processing
Software
Name
Version
Classification
REFMAC
5.6.0117
refinement
XDS
datascaling
PHASER
phasing
Refinement
Resolution: 2.56→48.91 Å / Cor.coef. Fo:Fc: 0.924 / Cor.coef. Fo:Fc free: 0.898 / SU B: 22.197 / SU ML: 0.426 / Cross valid method: THROUGHOUT / ESU R: 1.387 / ESU R Free: 0.391 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.30668
1512
5.1 %
RANDOM
Rwork
0.25652
-
-
-
obs
0.25909
28264
97.55 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK