3X30
Crystal structure of metallo-beta-lactamase from Thermotoga maritima
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-16 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 98.727, 98.727, 45.255 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.500 - 1.921 |
| R-factor | 0.1577 |
| Rwork | 0.156 |
| R-free | 0.18190 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.092 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.950 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Number of reflections | 37623 | |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 55% 2-Methyl-2,4-pentanediol(MPD), pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
