Mass: 18.015 Da / Num. of mol.: 25 / Source method: isolated from a natural source / Formula: H2O
Sequence details
RESIDUES 36-PEVEVNGKPA-45 IN UNP HAS BEEN REPLACED BY 36-SPLSEALINANSLAEAYEARSDA-58.
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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: 2.04 Å3/Da / Density % sol: 39.72 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8 Details: protein solution (15.5 mg/mL, in 20 mM HEPES, pH 8.0, 150 mM NaCl), containing 20 mM product analog, was mixed with reservoir solution containing 20.0% w/v PEG 3350 and 0.2 M magnesium ...Details: protein solution (15.5 mg/mL, in 20 mM HEPES, pH 8.0, 150 mM NaCl), containing 20 mM product analog, was mixed with reservoir solution containing 20.0% w/v PEG 3350 and 0.2 M magnesium chloride , VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution: 2.9→43.08 Å / Cor.coef. Fo:Fc: 0.93 / Cor.coef. Fo:Fc free: 0.885 / SU B: 28.068 / SU ML: 0.485 / Cross valid method: THROUGHOUT / ESU R Free: 0.526 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.28758
655
4.9 %
RANDOM
Rwork
0.2279
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obs
0.23077
12809
96.97 %
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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