5YPI
Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EI1 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| 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 | 69.380, 74.100, 154.520 |
| Unit cell angles | 90.00, 90.26, 90.00 |
Refinement procedure
| Resolution | 42.420 - 2.300 |
| R-factor | 0.1796 |
| Rwork | 0.178 |
| R-free | 0.23720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rl0 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.849 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.170 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 69446 | |
| <I/σ(I)> | 8.32 | 2.06 |
| Completeness [%] | 95.2 | 97.3 |
| Redundancy | 1.94 | 2 |
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 |
