4GNU
Crystal structure of GES-5 carbapenemase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-25 |
| Detector | RAYONIX MX-325 |
| Wavelength(s) | 0.82654 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.660, 80.470, 71.230 |
| Unit cell angles | 90.00, 101.48, 90.00 |
Refinement procedure
| Resolution | 32.020 - 1.090 |
| R-factor | 0.1571 |
| Rwork | 0.156 |
| R-free | 0.17160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.147 |
| 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] | 32.000 | 1.110 |
| High resolution limit [Å] | 1.086 | 1.090 |
| Rmerge | 0.040 | 0.501 |
| Number of reflections | 191963 | |
| <I/σ(I)> | 14.6 | 2.11 |
| Completeness [%] | 96.8 | 87.2 |
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 |
