Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 2.9→50 Å / Num. obs: 74402 / % possible obs: 99.7 % / Redundancy: 3.7 % / Rmerge(I) obs: 0.108 / Rsym value: 0.108 / Net I/σ(I): 16.3
Reflection shell
Resolution: 2.9→2.95 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.432 / Mean I/σ(I) obs: 4.1 / % possible all: 99.5
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHASER
phasing
Refinement
Resolution: 2.89→30.63 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.896 / SU B: 14.556 / SU ML: 0.264 / Cross valid method: THROUGHOUT / 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
0.22864
3750
5 %
RANDOM
Rwork
0.17118
-
-
-
obs
0.17407
70652
99.23 %
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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