5F2K
Crystal structure of mycobacterial fatty acid O-methyltransferase in complex with SAH and octanoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2014-02-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.074, 66.131, 98.086 |
| Unit cell angles | 90.00, 107.36, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.600 |
| R-factor | 0.19619 |
| Rwork | 0.195 |
| R-free | 0.21838 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.068 |
| 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] | 1.600 |
| Number of reflections | 101625 |
| <I/σ(I)> | 20.5 |
| Completeness [%] | 100.0 |
| Redundancy | 4.2 |
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 |
