Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 2.084→44.61 Å / Num. obs: 23354 / % possible obs: 95.9 % / Redundancy: 8.9 % / Net I/σ(I): 25.9
Reflection shell
Resolution: 2.08→6.59 Å / Redundancy: 8.4 % / Rmerge(I) obs: 0.22 / Mean I/σ(I) obs: 8.9 / % possible all: 97
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
iMOSFLM
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Resolution: 2.084→44.61 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.932 / SU B: 2.616 / SU ML: 0.073 / Cross valid method: THROUGHOUT / ESU R: 0.131 / ESU R Free: 0.127 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.19101
1194
5.1 %
RANDOM
Rwork
0.15462
-
-
-
obs
0.1565
22141
95.14 %
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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