4H8R
Imipenem complex of GES-5 carbapenemase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-06-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.940, 81.240, 71.930 |
| Unit cell angles | 90.00, 102.04, 90.00 |
Refinement procedure
| Resolution | 35.819 - 1.250 |
| R-factor | 0.1488 |
| Rwork | 0.148 |
| R-free | 0.17040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | apo GES-5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.222 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.800 | 1.280 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.058 | 0.557 |
| Number of reflections | 126748 | |
| <I/σ(I)> | 11.7 | 2.46 |
| Completeness [%] | 95.2 | 88.6 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 278 | unbuffered 0.2% sodium iodide and 18-20% PEG 3350, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 278K |
