5YPM
Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI1 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.790, 74.020, 155.040 |
| Unit cell angles | 90.00, 90.44, 90.00 |
Refinement procedure
| Resolution | 41.684 - 2.150 |
| R-factor | 0.1966 |
| Rwork | 0.196 |
| R-free | 0.22540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rl0 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.874 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.340 | 2.150 |
| High resolution limit [Å] | 2.150 | 2.120 |
| Number of reflections | 161125 | |
| <I/σ(I)> | 7.1 | 2.11 |
| Completeness [%] | 95.4 | 93.9 |
| Redundancy | 2.12 | 1.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 28% (w/v) PEG 3350, 0.1M Bis-Tris, pH 5.8, 0.2M ammonium sulfate |
