6W6B
The X-ray crystal structure of the C-terminus domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 328-548) protein to 1.40 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 | PIXEL |
| Collection date | 2020-02-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 87.303, 87.303, 85.562 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 75.610 - 1.400 |
| R-factor | 0.1203 |
| Rwork | 0.119 |
| R-free | 0.14870 |
| Structure solution method | SAD |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.216 |
| Data reduction software | XDS |
| Data scaling software | Aimless (7.0.078) |
| Phasing software | HKL2Map (0.4.e-beta) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.610 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.042 | 0.972 |
| Rmeas | 0.045 | 1.060 |
| Rpim | 0.018 | 0.414 |
| Number of reflections | 71679 | 3645 |
| <I/σ(I)> | 18.8 | 1.9 |
| Completeness [%] | 96.9 | 99.5 |
| Redundancy | 6.3 | 6.3 |
| CC(1/2) | 0.999 | 0.754 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 1.0M Li2SO4, 1.4M (NH4)2SO4 |
