2ZD8
SHV-1 class A beta-lactamase complexed with meropenem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-04 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9349 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.291, 54.979, 85.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.050 |
| R-factor | 0.1348 |
| Rwork | 0.134 |
| R-free | 0.16820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1shv |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.032 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.187 | 0.318 |
| Number of reflections | 105455 | |
| <I/σ(I)> | 4 | |
| Completeness [%] | 95.1 | 67.8 |
| Redundancy | 14.5 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 296 | 25% PEG6000, 0.1M HEPES, CYMAL-6, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
