Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97946 Å / Relative weight: 1
Reflection
Resolution: 2.03→66.76 Å / Num. obs: 50138 / % possible obs: 99.8 % / Redundancy: 6.1 % / Rmerge(I) obs: 0.059 / Net I/σ(I): 15.8
Reflection shell
Resolution: 2.03→2.08 Å / Redundancy: 6.4 % / Rmerge(I) obs: 0.362 / Mean I/σ(I) obs: 4.8 / Num. unique obs: 3667 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0218
refinement
iMOSFLM
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Resolution: 2.03→66.76 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.937 / SU B: 5.3 / SU ML: 0.137 / Cross valid method: THROUGHOUT / ESU R: 0.179 / ESU R Free: 0.159 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23395
2501
5 %
RANDOM
Rwork
0.19773
-
-
-
obs
0.19957
47581
99.68 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å