3HPZ
Crystal structure of Mycobacterium tuberculosis LeuA complexed with bromopyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-05-15 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.244, 154.849, 68.967 |
| Unit cell angles | 90.00, 98.23, 90.00 |
Refinement procedure
| Resolution | 43.640 - 2.200 |
| R-factor | 0.18682 |
| Rwork | 0.183 |
| R-free | 0.25169 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hps |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.766 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.118 | 0.587 |
| Number of reflections | 56200 | |
| <I/σ(I)> | 13.1 | 2.2 |
| Completeness [%] | 98.6 | 87.6 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.25 | 291 | Sodium citrate, PEG MME 2000, pH 6.25, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
