5DZJ
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.022, 93.953, 75.443 |
| Unit cell angles | 90.00, 93.00, 90.00 |
Refinement procedure
| Resolution | 34.964 - 2.095 |
| R-factor | 0.1814 |
| Rwork | 0.179 |
| R-free | 0.23340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vyn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.156 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.095 | 2.100 |
| Rmerge | 0.092 | 0.516 |
| Number of reflections | 49957 | |
| <I/σ(I)> | 17.96 | 3.727 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.2 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG5000MME Ammonium sulfate |
