3HA7
Crystal structure of HMA (MMAA4) from mycobacterium tuberculosis complexed with S-adenosyl-N-decyl-aminoethyl (SADAE)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9395 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 57.429, 57.429, 205.079 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.960 - 2.350 |
| R-factor | 0.21251 |
| Rwork | 0.211 |
| R-free | 0.24297 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2fk8 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.439 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.960 | 2.410 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 16765 | |
| <I/σ(I)> | 10.1 | 2.4 |
| Completeness [%] | 98.2 | 99.4 |
| Redundancy | 4.4 | 4.6 |
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 |
