3FMI
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase complexed with 7-Keto 8-aminopelargonic acid
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 | 55.372, 105.137, 151.569 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.000 - 2.180 |
| R-factor | 0.2164 |
| Rwork | 0.214 |
| R-free | 0.26433 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fgn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.471 |
| 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] | 50.000 | 2.260 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.064 | 0.390 |
| Number of reflections | 46066 | |
| <I/σ(I)> | 38 | 7.33 |
| Completeness [%] | 97.6 | 96.3 |
| Redundancy | 13.9 | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
