4MQP
Mycobaterium tuberculosis transaminase BioA complexed with 2-hydrazinylbenzo[d]thiazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-17 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.021, 65.915, 201.964 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.930 - 1.830 |
| R-factor | 0.17746 |
| Rwork | 0.176 |
| R-free | 0.20686 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tft |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.336 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.930 | 1.930 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Number of reflections | 69970 | |
| <I/σ(I)> | 18 | |
| Completeness [%] | 98.3 | 96.6 |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Protein: 25 mM HEPES pH 7.5, 50 mM NaCl, 0.1 mM TCEP Reservoir:10% PEG 8000, 0.1M magnesium chloride, 0.1M HEPES pH 7.5 Cryo: 15% PEG 400 in reservoir solution, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
