3FGN
Crystal structure of dethiobiotin synthetase in Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.383, 104.684, 151.392 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.700 - 1.850 |
| R-factor | 0.21632 |
| Rwork | 0.214 |
| R-free | 0.25332 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.260 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.700 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.059 | 0.500 |
| Number of reflections | 73740 | |
| <I/σ(I)> | 17.2 | 1.4 |
| Completeness [%] | 99.0 | 93.7 |
| Redundancy | 4.4 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 1M sodium citrate, 0.1M imidazole, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
