8BLS
Structure of Lactobacillus salivarius (Ls) bile salt hydrolase(BSH) in complex with Glycocholate (GCA)
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 | 84.010, 94.090, 166.974 |
Unit cell angles | 90.00, 90.64, 90.00 |
Refinement procedure
Resolution | 28.400 - 2.100 |
R-factor | 0.14952 |
Rwork | 0.147 |
R-free | 0.19924 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hke |
RMSD bond length | 0.010 |
RMSD bond angle | 1.568 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.066 | 0.042 | 0.232 |
Total number of observations | 755182 | ||
Number of reflections | 143414 | 14375 | 12835 |
<I/σ(I)> | 12.5 | ||
Completeness [%] | 94.9 | 96.8 | 86.7 |
Redundancy | 2.7 | 2.9 | 2.6 |
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 |