3DWZ
Meropenem Covalent Adduct with TB Beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.852, 67.595, 75.188 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.830 - 1.800 |
| R-factor | 0.1544 |
| Rwork | 0.152 |
| R-free | 0.19249 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cg5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.432 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.830 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.101 | 0.415 |
| Number of reflections | 23819 | |
| <I/σ(I)> | 20 | 4.5 |
| Completeness [%] | 96.6 | 94.8 |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.1 | 298 | 0.1 M HEPES pH 7.4, 2 M ammonium di-hydrogen phosphate, pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
