Mass: 23318.902 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: Ser25 is modelled as a phophoserine (pSer25). / Source: (gene. exp.) Lentinus similis (fungus) / Production host: Aspergillus oryzae (mold)
Mass: 18.015 Da / Num. of mol.: 240 / 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: 2.17 Å3/Da / Density % sol: 43.32 %
Crystal grow
Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 16%(w/v) MPD (racemic) 16%(w/v) PEG 1000 16%(w/v) PEG 3350 20 mM of Glutamate, Alanine, Glycine, Lysine, and Serine (some racemic). 30 mM of each of NaNO3; Na2HPO4; (NH4)2SO4 100 mM Imidazole/MES 0.1 M (pH6.5)
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Data collection
Diffraction
Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source
Source: SYNCHROTRON / Site: MAX II / Beamline: I911-3 / Wavelength: 1 Å
Resolution: 1.6→20 Å / Cor.coef. Fo:Fc: 0.973 / Cor.coef. Fo:Fc free: 0.949 / SU B: 4.375 / SU ML: 0.074 / Cross valid method: THROUGHOUT / ESU R: 0.118 / ESU R Free: 0.097 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21142
1386
5.1 %
RANDOM
Rwork
0.15171
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obs
0.15476
25753
98.51 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å