5CXW
Structure of the PonA1 protein from Mycobacterium Tuberculosis in complex with penicillin V
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.341, 60.580, 133.904 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.750 |
| R-factor | 0.14895 |
| Rwork | 0.147 |
| R-free | 0.18937 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5crf |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.719 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.098 | 0.634 |
| Number of reflections | 39656 | |
| <I/σ(I)> | 23.5 | 3.1 |
| Completeness [%] | 99.5 | 99 |
| Redundancy | 7.2 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | 0.1 M HEPES, 25% PEG3350 |
