5UTO
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-01 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.191, 54.289, 84.396 |
| Unit cell angles | 105.18, 90.02, 107.50 |
Refinement procedure
| Resolution | 38.034 - 1.830 |
| R-factor | 0.1597 |
| Rwork | 0.158 |
| R-free | 0.19110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4x9x |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.540 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_2614) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.830 | 1.870 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.057 | 0.468 |
| Rmeas | 0.082 | 0.782 |
| Rpim | 0.046 | 0.443 |
| Number of reflections | 46256 | 2815 |
| <I/σ(I)> | 12.3 | 1.9 |
| Completeness [%] | 97.1 | 95.3 |
| Redundancy | 3.1 | 3 |
| CC(1/2) | 0.998 | 0.694 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | pH 6.5 0.1M MES/Imidazole, 12.5?% PEG1000, 12.5?% PEG3350, 12.5?% MPD, 0.03M NaNO3, 0.03M Na2HPO4, 0.03M (NH4)2 SO4 |
