3HA5
Crystal structure of HMA (MMAA4) from mycobacterium tuberculosis complexed with sinefungin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 56.782, 56.782, 202.785 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.340 - 2.300 |
| R-factor | 0.1857 |
| Rwork | 0.183 |
| R-free | 0.22890 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2fk8 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.558 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.390 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 17639 | |
| <I/σ(I)> | 8.1 | 2.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.2 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 285 | 4-28% PEG 3350, pH 5-9 , VAPOR DIFFUSION, HANGING DROP, temperature 285K |
