Mass: 18.015 Da / Num. of mol.: 134 / Source method: isolated from a natural source / Formula: H2O
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION
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Sample preparation
Crystal
Density Matthews: 2.71 Å3/Da / Density % sol: 54.65 %
Crystal grow
Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 10 mg/ml protein with 25 mM hexaamine cobalt chloride crystallized by hanging drop with precipitant 7.5% PEG 3350, 10% glycerol, and 0.1M HEPES pH 7.0.
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Data collection
Diffraction
Mean temperature: 295 K Ambient temp details: Acoustic specimen injection into xfel beam Serial crystal experiment: Y
Diffraction source
Source: FREE ELECTRON LASER / Site: SLAC LCLS / Beamline: XPP / Wavelength: 1.36 Å
Resolution: 2.2→90.04 Å / Cor.coef. Fo:Fc: 0.85 / Cor.coef. Fo:Fc free: 0.756 / SU B: 11.033 / SU ML: 0.266 / Cross valid method: THROUGHOUT / ESU R: 0.311 / ESU R Free: 0.266 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.33012
1292
4.8 %
RANDOM
Rwork
0.26908
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obs
0.27204
25584
99.66 %
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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