3LTW
The structure of mycobacterium marinum arylamine n-acetyltransferase in complex with hydralazine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 51.940, 51.940, 176.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.950 - 2.100 |
| R-factor | 0.219 |
| Rwork | 0.216 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.886 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.952 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.125 | 0.580 |
| Number of reflections | 15018 | |
| <I/σ(I)> | 2.9 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.2 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | vapour diffusion | 6.7 | 293 | 0.1M sodium chloride 0.1M MES pH 6.7, 1.65M ammonium sulphate, vapour diffusion, temperature 293K |
