3PG4
The crystal structure of New Delhi Metallo-beta lactamase (NDM-1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6B |
| Synchrotron site | PAL/PLS |
| Beamline | 6B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-21 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 77.539, 77.539, 177.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.520 - 2.000 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | VIM-4 METALLO-BETA-LACTAMASE PDB ENTRY 2WHG |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.057 | 0.195 |
| Number of reflections | 17504 | |
| <I/σ(I)> | 31.8 | 3.62 |
| Completeness [%] | 92.6 | 78.9 |
| Redundancy | 7.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 4.0M Sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
