3HQ1
Crystal structure of Mycobacterium tuberculosis LeuA complexed with citrate and Mn2+
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 | 2007-07-04 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.361, 154.803, 69.115 |
| Unit cell angles | 90.00, 98.04, 90.00 |
Refinement procedure
| Resolution | 38.690 - 1.700 |
| R-factor | 0.17208 |
| Rwork | 0.170 |
| R-free | 0.20366 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hps |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.288 |
| 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 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.052 | 0.349 |
| Number of reflections | 117445 | |
| <I/σ(I)> | 22.7 | 2.3 |
| Completeness [%] | 94.6 | 68.8 |
| Redundancy | 3.3 |
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 |
