Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97242 Å / Relative weight: 1
Reflection
Resolution: 1.96→68.6 Å / Num. obs: 27099 / % possible obs: 95.4 % / Redundancy: 4.7 % / Rmerge(I) obs: 0.133 / Net I/σ(I): 2.9
Reflection shell
Resolution: 1.96→2.06 Å / Redundancy: 4.5 % / Rmerge(I) obs: 0.508 / Mean I/σ(I) obs: 1.5 / % possible all: 86
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0073
refinement
MOSFLM
datareduction
PHASER
phasing
Refinement
Resolution: 1.96→68.59 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.927 / SU B: 5.205 / SU ML: 0.144 / Cross valid method: THROUGHOUT / ESU R: 0.181 / ESU R Free: 0.174 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26616
1327
4.9 %
RANDOM
Rwork
0.20977
-
-
-
obs
0.21253
25571
98.31 %
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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