Mass: 18.015 Da / Num. of mol.: 111 / 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: 1.87 Å3/Da / Density % sol: 34.29 %
Crystal grow
Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 10% PEG 20,000, 20% PEG MME 550, 0.02 M amino acids (0.02 M sodium L-glutamate, 0.02 M DL-alanine, 0.02 M glycine, 0.02 M DL-lysine, 0.02 M DL-serine), 0.1 M MOPS/HEPES ph 7.5, VAPOR ...Details: 10% PEG 20,000, 20% PEG MME 550, 0.02 M amino acids (0.02 M sodium L-glutamate, 0.02 M DL-alanine, 0.02 M glycine, 0.02 M DL-lysine, 0.02 M DL-serine), 0.1 M MOPS/HEPES ph 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
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Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX1 / Wavelength: 0.7293 Å
Resolution: 1.1→19.42 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.959 / SU B: 1.522 / SU ML: 0.033 / Cross valid method: THROUGHOUT / ESU R: 0.038 / ESU R Free: 0.039 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21136
2571
5.2 %
RANDOM
Rwork
0.18197
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all
0.18353
47054
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obs
0.18353
47054
97.39 %
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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