Mass: 18.015 Da / Num. of mol.: 70 / 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: 3.68 Å3/Da / Density % sol: 66.62 %
Crystal grow
Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 8 Details: 1 uL protein (18 mg/mL in 20 mM HEPES pH 7.5, 50 mM NaCl) + 1 uL precipitant (1.2 M sodium citrate, 50 mM TRIS pH 8.0).
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Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX1 / Wavelength: 0.9537 Å
Resolution: 2.1→44.35 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.955 / SU B: 6.741 / SU ML: 0.089 / Cross valid method: THROUGHOUT / ESU R: 0.134 / ESU R Free: 0.129 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20679
1282
5.1 %
RANDOM
Rwork
0.17556
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obs
0.17715
23894
99.75 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å