4EYF
Crystal structure of NDM-1 bound to hydrolyzed benzylpenicillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-22 |
| Detector | RAYONIX MX300HE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.030, 79.490, 134.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.700 - 1.800 |
| R-factor | 0.16445 |
| Rwork | 0.163 |
| R-free | 0.19735 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.291 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.700 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 39036 | |
| Completeness [%] | 98.7 | 97.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.2M MgCl2, 25% PEG3350, 0.1M bis-tris, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
