4PPR
Crystal structure of Mycobacterium tuberculosis D,D-peptidase Rv3330 in complex with meropenem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1158 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 76.291, 76.291, 99.978 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.500 - 2.000 |
| R-factor | 0.1856 |
| Rwork | 0.184 |
| R-free | 0.21020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2BCF |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.876 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.500 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 20630 | |
| <I/σ(I)> | 31.2 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.23 | 291 | 0.1 M NaCl, 0.1 M HEPES, 1.7 M ammonium sulfate, pH 7.23, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
