5F2O
Crystal structure of mycobacterial fatty acid O-methyltransferase Q154A mutant in complex with SAH and 3-hydroxy-decanoate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2014-08-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.812, 65.630, 98.220 |
| Unit cell angles | 90.00, 107.33, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.850 |
| R-factor | 0.19437 |
| Rwork | 0.193 |
| R-free | 0.22410 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.114 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.850 |
| Number of reflections | 66196 |
| <I/σ(I)> | 14.5 |
| Completeness [%] | 100.0 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 297 | 0.1 M MgCl2, 0.1 M N-(2-acetamido)iminodiacetic acid [pH 6.5], 12% PEG 6000 |
