5LBG
Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) BC-module with faropenem-derived adduct at the active site cysteine-354
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.062, 91.362, 67.550 |
| Unit cell angles | 90.00, 103.59, 90.00 |
Refinement procedure
| Resolution | 65.660 - 1.540 |
| R-factor | 0.17723 |
| Rwork | 0.176 |
| R-free | 0.20625 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4huc |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.759 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.660 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.029 | 0.464 |
| Number of reflections | 77780 | |
| <I/σ(I)> | 14.6 | 2.1 |
| Completeness [%] | 99.1 | 99 |
| Redundancy | 3 | 3 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.25 | 293 | 0.1M Citrate pH 4.25 17.5% PEG6K, ligand soak at pH 6.5 |
