4GOG
Crystal structure of the GES-1 imipenem acyl-enzyme complex
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 | 2010-04-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.7749 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.950, 81.220, 72.120 |
| Unit cell angles | 90.00, 102.29, 90.00 |
Refinement procedure
| Resolution | 24.312 - 1.100 |
| R-factor | 0.1497 |
| Rwork | 0.149 |
| R-free | 0.16750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.230 |
| 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] | 28.500 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.069 | 0.651 |
| Number of reflections | 191742 | |
| <I/σ(I)> | 9.7 | 2.08 |
| Completeness [%] | 97.6 | 93.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | unbuffered 0.2% sodium iodide and 18-20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
