3S0Z
Crystal structure of New Delhi Metallo-beta-lactamase (NDM-1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-02 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 |
| Unit cell lengths | 40.696, 40.696, 215.292 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.2359 |
| Rwork | 0.234 |
| R-free | 0.26742 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wrs |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.785 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.500 |
| Number of reflections | 10177 |
| Completeness [%] | 71.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 20mM CdCl2, 20mM CaCl2, 20mM CoCl2, 20% (v/w) PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
