5K69
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T224
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 | 2015-11-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.140, 94.150, 75.630 |
| Unit cell angles | 90.00, 93.20, 90.00 |
Refinement procedure
| Resolution | 28.980 - 2.001 |
| R-factor | 0.1949 |
| Rwork | 0.194 |
| R-free | 0.22930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5du7 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.864 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.980 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.073 | 0.474 |
| Number of reflections | 70044 | |
| <I/σ(I)> | 14.42 | 2.63 |
| Completeness [%] | 97.8 | 96.9 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.899 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG5000MME, Ammonium sulfate |
