3FMF
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase complexed with 7,8 diaminopelargonic acid carbamate
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 | 55.306, 103.753, 151.462 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.070 - 2.050 |
| R-factor | 0.19673 |
| Rwork | 0.195 |
| R-free | 0.23652 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fgn |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.277 |
| 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 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.050 | 0.170 |
| Number of reflections | 50363 | |
| <I/σ(I)> | 29.5 | 8.5 |
| Completeness [%] | 91.2 | 80.6 |
| Redundancy | 5.3 | 4.9 |
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 |
