3V5M
Crystal structure of M69V mutant of SHV beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.481, 55.225, 83.893 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.000 - 1.300 |
| R-factor | 0.16496 |
| Rwork | 0.164 |
| R-free | 0.18612 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.525 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.082 | 0.753 |
| Number of reflections | 57438 | |
| <I/σ(I)> | 21.5 | |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 4.6 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 300 | Sitting drop: 21-30%A PEG600, 0.1M HEPES pH 6.2-8.2, 0.56mM Cymal-6. Crystals were soaked with SA2-13 inhibitor but no density could be observed, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
