8ETK
Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 108.538, 108.538, 160.341 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.540 - 1.830 |
R-factor | 0.2004 |
Rwork | 0.200 |
R-free | 0.22470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7svf |
RMSD bond length | 0.007 |
RMSD bond angle | 0.898 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.540 | 1.895 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.176 | 4.355 |
Rmeas | 0.183 | 4.510 |
Rpim | 0.048 | 1.166 |
Number of reflections | 84823 | 8358 |
<I/σ(I)> | 12.09 | 0.86 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 14.5 | 14.9 |
CC(1/2) | 0.998 | 0.357 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium phosphate dibasic:citric acid, pH 4.2, 40% (v/v) PEG 300. Probe was incubated with protein before tray setup at 6.94 mg/mL protein concentration. Crystals formed in a 1:1 protein:crystallant ratio. |