Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.915 Å / Relative weight: 1
Reflection
Resolution: 2.7→47.15 Å / Num. obs: 7221 / % possible obs: 81.7 % / Redundancy: 3.1 % / Rmerge(I) obs: 0.111 / Net I/σ(I): 6.4
Reflection shell
Resolution: 2.7→2.83 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.394 / Mean I/σ(I) obs: 2.3 / % possible all: 84.8
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
Aimless
0.2.7
datascaling
PDB_EXTRACT
3.15
dataextraction
PHASER
phasing
MOSFLM
datareduction
Refinement
Resolution: 2.7→47.15 Å / Cor.coef. Fo:Fc: 0.932 / Cor.coef. Fo:Fc free: 0.912 / SU B: 26.981 / SU ML: 0.247 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.08 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.244
355
4.9 %
RANDOM
Rwork
0.205
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-
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obs
0.207
7217
80.5 %
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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