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 |
