3LVZ
New refinement of the crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.2813 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.501, 44.773, 76.966 |
| Unit cell angles | 78.92, 89.51, 61.91 |
Refinement procedure
| Resolution | 32.240 - 1.400 |
| R-factor | 0.16503 |
| Rwork | 0.162 |
| R-free | 0.19348 |
| Structure solution method | SAD |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.204 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.580 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.060 | 0.336 |
| Number of reflections | 87611 | |
| <I/σ(I)> | 7.1 | 1.8 |
| Completeness [%] | 91.0 | 77.2 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 30-35% PEG 4000, 0.5M sodium acetate, 5mM ZnCl2 pH 8.0-8.5, 0.1M TrisHCl, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
