4GSR
Structural basis for the inhibition of Mycobacterium tuberculosis L,D-transpeptidase by meropenem, a drug effective against extensively drug-resistant strains
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-12 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.00600 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.661, 58.449, 40.964 |
| Unit cell angles | 90.00, 94.28, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.790 |
| R-factor | 0.1963 |
| Rwork | 0.195 |
| R-free | 0.22583 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.153 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.820 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Number of reflections | 58915 | |
| Completeness [%] | 99.3 | 86.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 296 | 50mM calcium chloride, 100mM bis-tris, 30%(v/v) polyethylene glycol monomethyl ether 550, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
