Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.91741 Å / Relative weight: 1
Reflection
Resolution: 1.7→24.91 Å / Num. obs: 55487 / % possible obs: 99.2 % / Redundancy: 4.1 % / Biso Wilson estimate: 17.7 Å2 / Rmerge(I) obs: 0.087 / Net I/σ(I): 8.9
Reflection shell
Resolution: 1.7→1.79 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.552 / Mean I/σ(I) obs: 2.2 / % possible all: 99
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0103
refinement
iMOSFLM
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Resolution: 1.7→24.91 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.961 / SU B: 3.501 / SU ML: 0.059 / Cross valid method: THROUGHOUT / ESU R: 0.079 / ESU R Free: 0.077 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.18075
2676
4.8 %
RANDOM
Rwork
0.16171
-
-
-
obs
0.16267
52755
98.96 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å