2QDS
Crystal Structure of the Zinc Carbapenemase CPHA in Complex with the Inhibitor D-Captopril
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.93100 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 43.001, 100.990, 116.819 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.660 |
| R-factor | 0.14902 |
| Rwork | 0.148 |
| R-free | 0.17000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x8g |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.283 |
| 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] | 58.410 | 1.750 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.081 | 0.222 |
| Number of reflections | 30270 | |
| <I/σ(I)> | 17.1 | 4.4 |
| Completeness [%] | 99.1 | 94.3 |
| Redundancy | 5.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 281 | PEG, AS, PH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 281K |
