Journal: To Be Published Title: Crystal structure of the bile salt hydrolase from lactobacillus salivarius complex with glycocholic acid and cholic acid Authors: Xu, F. / Hu, X.-J. / Lin, J.
A: Bile salt hydrolase B: Bile salt hydrolase C: Bile salt hydrolase D: Bile salt hydrolase E: Bile salt hydrolase F: Bile salt hydrolase G: Bile salt hydrolase H: Bile salt hydrolase hetero molecules
Mass: 18.015 Da / Num. of mol.: 989 / 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: 2.26 Å3/Da / Density % sol: 45.5 % / Description: shaft
Crystal grow
Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 4.8 Details: 20% polyethylene glycol 3350, 0.2 M potassium dihydrogen phosphate pH 4.8. Then crystal is soaked in this buffer containing 5 uM glycocholic acid for 4 hrs.
Resolution: 2.1→28.5 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.934 / SU B: 4.575 / SU ML: 0.121 / Cross valid method: THROUGHOUT / ESU R: 0.236 / ESU R Free: 0.187 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2135
7338
5.1 %
RANDOM
Rwork
0.15994
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obs
0.16268
135874
94.55 %
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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