3AFF
Crystal structure of the HsaA monooxygenase from M. tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.140, 175.770, 179.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.760 - 2.000 |
| R-factor | 0.20041 |
| Rwork | 0.198 |
| R-free | 0.23939 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jbs |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.853 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.068 |
| Number of reflections | 72634 |
| <I/σ(I)> | 26.4 |
| Completeness [%] | 95.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
