Mass: 18.015 Da / Num. of mol.: 47 / Source method: isolated from a natural source / Formula: H2O
Compound details
SEQUENCE REFLECTS C22A, C99V MUTATIONS AGAINST WT PROTEIN. NO UNP MATCH IS FOUND, THEREFORE THE ...SEQUENCE REFLECTS C22A, C99V MUTATIONS AGAINST WT PROTEIN. NO UNP MATCH IS FOUND, THEREFORE THE SEQUENCE IS SELF REFERENCED
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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: 2.15 Å3/Da / Density % sol: 42.79 % / Description: Three-sided pyramid
Crystal grow
Temperature: 290 K / Method: vapor diffusion, hanging drop / pH: 7 / Details: 0.1 M HEPES pH 7.0, 1.6 M Ammonium Sulfate
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Data collection
Diffraction
Mean temperature: 150 K
Diffraction source
Source: ROTATING ANODE / Type: BRUKER AXS MICROSTAR-H / Wavelength: 1.54 Å
Resolution: 2.28→43.91 Å / Cor.coef. Fo:Fc: 0.931 / Cor.coef. Fo:Fc free: 0.888 / Cross valid method: THROUGHOUT / ESU R: 0.337 / ESU R Free: 0.23 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23638
285
4.6 %
RANDOM
Rwork
0.18784
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obs
0.19008
5880
99.98 %
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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