8BLT
Structure of Lactobacillus salivarius (Ls) bile salt hydrolase(BSH) in complex with taurocholate (TCA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-01 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 84.759, 94.605, 168.215 |
Unit cell angles | 90.00, 90.26, 90.00 |
Refinement procedure
Resolution | 25.750 - 2.100 |
R-factor | 0.18158 |
Rwork | 0.180 |
R-free | 0.21264 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hke |
RMSD bond length | 0.010 |
RMSD bond angle | 1.629 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmeas | 0.105 | 0.340 |
Number of reflections | 150183 | 150183 |
<I/σ(I)> | 10.7 | |
Completeness [%] | 96.7 | |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 20% Polyethylene glycol 3350, 0.2M potassium dihydrogen phosphate pH 4.8 |