3VPE
Crystal Structure of Metallo-beta-Lactamase SMB-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-16 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 31 |
| Unit cell lengths | 67.829, 67.829, 48.670 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.830 - 1.600 |
| R-factor | 0.16644 |
| Rwork | 0.165 |
| R-free | 0.20021 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sml |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.431 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.051 | 0.216 |
| Number of reflections | 32909 | |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 11.2 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 28% PEG 2000, 0.1M sodium acetate, 0.2M ammonium sulfate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
