Monochromator: Bartels monochromator with dual channel cut crystals 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: 36486 / % possible obs: 97 % / Redundancy: 2.48 % / Net I/σ(I): 8.34
Reflection shell
Resolution: 2.3→2.33 Å / Redundancy: 2.51 % / Mean I/σ(I) obs: 2.32 / % possible all: 94.3
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Processing
Software
Name
Version
Classification
XDS
datascaling
PHASER
phasing
REFMAC
5.6.0117
refinement
Refinement
Resolution: 2.3→48.02 Å / Cor.coef. Fo:Fc: 0.937 / Cor.coef. Fo:Fc free: 0.926 / SU B: 7.254 / SU ML: 0.177 / Cross valid method: THROUGHOUT / ESU R: 0.419 / ESU R Free: 0.239 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23614
1928
5 %
RANDOM
Rwork
0.20931
-
-
-
obs
0.2107
36486
98.41 %
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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