4WL3
Crystal structure determination of Bile Salt Hydrolase from Enterococcus feacalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-17 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.200, 131.620, 86.720 |
| Unit cell angles | 90.00, 94.48, 90.00 |
Refinement procedure
| Resolution | 41.070 - 2.010 |
| R-factor | 0.20653 |
| Rwork | 0.205 |
| R-free | 0.23463 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rlc |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.821 |
| Data reduction software | Aimless |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.070 | 2.010 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.084 | |
| Number of reflections | 97208 | |
| <I/σ(I)> | 9 | 3.5 |
| Completeness [%] | 99.3 | 97.8 |
| Redundancy | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2M Ammonium Sulfate, 5% Isopropanol |
