Mass: 18.015 Da / Num. of mol.: 153 / 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 / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 1.96 Å3/Da / Density % sol: 37.22 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.6 Details: 0.066 M calcium acetate, 18 % w/v PEG MME 5K, 0.1 M tris chloride pH 7.6, protein at 10.5 mg/mL; 150 plus 150 nL drops at 293 K
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Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
Resolution: 2.07→47.7 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.929 / SU B: 5.329 / SU ML: 0.138 / Cross valid method: THROUGHOUT / ESU R: 0.205 / ESU R Free: 0.182 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23765
2468
5 %
RANDOM
Rwork
0.18446
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obs
0.18701
46794
99.97 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å