5GS7
Crystal structure determination of Cys2Ala mutant of Bile Salt Hydrolase from Enterococcus feacalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97240 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 91.187, 91.187, 156.505 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.290 - 1.500 |
| R-factor | 0.21001 |
| Rwork | 0.209 |
| R-free | 0.23747 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wl3 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.172 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.290 | |
| High resolution limit [Å] | 1.500 | |
| Rmerge | 0.060 | 0.740 |
| Number of reflections | 105625 | |
| <I/σ(I)> | 24.1 | |
| Completeness [%] | 99.9 | 97.5 |
| Redundancy | 12 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 0.2M Potassium thiocyanate, 0.1M Bis Tris propane pH 7.5, 20% (w/v) PEG 3350 |
