Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 2.59→24.88 Å / Num. obs: 9559 / % possible obs: 100 % / Redundancy: 20.2 % / Net I/σ(I): 25
Reflection shell
Redundancy: 20.9 % / Rmerge(I) obs: 0.63 / Mean I/σ(I) obs: 5.9 / % possible all: 99.9
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0124
refinement
XDS
datareduction
XSCALE
datascaling
MOLREP
phasing
Refinement
Resolution: 2.65→24.88 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.894 / SU B: 12.833 / SU ML: 0.266 / Cross valid method: THROUGHOUT / ESU R: 1.292 / ESU R Free: 0.35 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26557
485
5.1 %
RANDOM
Rwork
0.20718
-
-
-
obs
0.21017
9057
99.79 %
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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