Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97906 Å / Relative weight: 1
Reflection
Resolution: 2.6→50 Å / Num. obs: 52491 / % possible obs: 95.3 % / Redundancy: 4.8 % / Net I/σ(I): 36.1
Reflection shell
Resolution: 2.6→2.63 Å / Redundancy: 4.7 % / Mean I/σ(I) obs: 3.3 / Num. unique obs: 2646 / % possible all: 97.5
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHENIX
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.6→50 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.948 / SU B: 11.795 / SU ML: 0.228 / Cross valid method: THROUGHOUT / ESU R: 0.506 / ESU R Free: 0.279 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23374
2632
5 %
RANDOM
Rwork
0.19691
-
-
-
obs
0.19881
49800
94.86 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å