3FPA
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase complexed with dethiobiotin and phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.128, 104.453, 151.133 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.300 |
| R-factor | 0.2078 |
| Rwork | 0.205 |
| R-free | 0.25993 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fgn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.520 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.210 | 0.050 |
| Number of reflections | 39525 | |
| <I/σ(I)> | 20.1 | 4.8 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 1.5 M phosphate, 0.2 M NaCl, 0.1M imidazole, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
