Monochromator: DCM Si (111) Crystal / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.997 Å / Relative weight: 1
Reflection
Resolution: 2.5→50 Å / Num. obs: 50546 / % possible obs: 99.8 % / Redundancy: 6.5 % / Rmerge(I) obs: 0.08 / Net I/av σ(I): 4.7 / Net I/σ(I): 35.5
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0032
refinement
PDB_EXTRACT
3.15
dataextraction
DENZO
datareduction
SCALEPACK
datascaling
PHASER
phasing
Refinement
Resolution: 2.5→47.69 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.921 / SU B: 8.322 / SU ML: 0.189 / Cross valid method: THROUGHOUT / ESU R: 0.436 / ESU R Free: 0.271 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24346
2567
5.1 %
RANDOM
Rwork
0.1883
-
-
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obs
0.19108
47927
99.6 %
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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