7AKC
Structure of the of AcylTransferase domain of phenolphthiocerol/phtiocerol synthase A from Mycobacterium bovis (BCG)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-06 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 94.029, 94.029, 73.236 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.010 - 1.600 |
| R-factor | 0.2457 |
| Rwork | 0.244 |
| R-free | 0.26710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tsw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3 (20-MAY-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.010 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.040 | 1.092 |
| Rmeas | 0.041 | 1.134 |
| Number of reflections | 43463 | 6973 |
| <I/σ(I)> | 31 | 2.61 |
| Completeness [%] | 98.6 | 99.7 |
| Redundancy | 14.2 | 14.4 |
| CC(1/2) | 1.000 | 0.875 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 285 | 19% (w/v) PEG 5,000 MME 0.1 M MES |
