Type: Bruker Platinum 135 / Detector: CCD / Date: Aug 9, 2015
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 1.89→50 Å / Num. obs: 16130 / % possible obs: 98 % / Redundancy: 6.9 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 17.1
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0135
refinement
SADABS
2005/1
datascaling
SAINT
7.06A
datareduction
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: Lab Model from SAD Resolution: 1.89→50 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.914 / SU B: 3.541 / SU ML: 0.104 / Cross valid method: THROUGHOUT / ESU R: 0.16 / ESU R Free: 0.162 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2581
817
5.1 %
RANDOM
Rwork
0.1946
-
-
-
obs
0.19762
15290
98.01 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å