Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9 Å / Relative weight: 1
Reflection
Resolution: 2.07→50 Å / Num. obs: 32018 / % possible obs: 99.9 % / Redundancy: 10.9 % / Rpim(I) all: 0.029 / Net I/σ(I): 47.7
Reflection shell
Resolution: 2.07→2.11 Å / Redundancy: 10.3 % / Mean I/σ(I) obs: 2.4 / CC1/2: 0.79 / Rpim(I) all: 0.459 / % possible all: 99.9
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0073
refinement
HKL-2000
datareduction
SCALEPACK
datascaling
MOLREP
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.1→49.43 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.945 / SU B: 6.159 / SU ML: 0.161 / Cross valid method: THROUGHOUT / ESU R: 0.226 / ESU R Free: 0.189 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25156
1546
5.1 %
RANDOM
Rwork
0.21461
-
-
-
obs
0.2166
28726
99.86 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å