4R8D
Crystal structure of Rv1600 encoded aminotransferase in complex with PLP-MES from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-12-12 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.525, 101.523, 114.947 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.190 - 2.050 |
| R-factor | 0.2105 |
| Rwork | 0.208 |
| R-free | 0.25498 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cq5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.190 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 47586 | |
| <I/σ(I)> | 17.1 | |
| Completeness [%] | 94.6 | 68.3 |
| Redundancy | 4.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.2M Ammonium sulfate, 0.1M MES monohydrate, 30% PEG MME 5000, 50 micro-molar PLP, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
