2GKL
Crystal structure of the zinc carbapenemase CPHA in complex with the inhibitor pyridine-2,4-dicarboxylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54179 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 42.638, 101.211, 117.121 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.900 - 1.860 |
| R-factor | 0.16084 |
| Rwork | 0.159 |
| R-free | 0.19617 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x8h |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.365 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.070 | 0.179 |
| Number of reflections | 21647 | |
| <I/σ(I)> | 7.4 | 4.1 |
| Completeness [%] | 99.4 | 97.3 |
| Redundancy | 6.4 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 280 | PEG, AS, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 280K |
