3HA3
Crystal structure of HMA (MMAA4) from mycobacterium tuberculosis complexed with S-adenosylhomocysteine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 57.344, 57.344, 203.978 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.680 - 2.200 |
| R-factor | 0.20399 |
| Rwork | 0.202 |
| R-free | 0.25001 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2fk8 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.674 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.680 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 20193 | |
| <I/σ(I)> | 9.1 | 2.4 |
| Completeness [%] | 98.4 | 97.8 |
| Redundancy | 3.4 | 3.4 |
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 |
