7RM7
The X-ray crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with ADP to 1.025 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 | 2017-03-23 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.665, 57.399, 81.195 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.240 - 1.025 |
| Rwork | 0.118 |
| R-free | 0.14410 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.046 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.240 | 1.040 |
| High resolution limit [Å] | 1.025 | 1.025 |
| Rpim | 0.020 | 0.396 |
| Number of reflections | 95789 | 3447 |
| <I/σ(I)> | 19.6 | 2 |
| Completeness [%] | 95.5 | 70.5 |
| Redundancy | 6.8 | |
| CC(1/2) | 0.999 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M MgCl2, 0.1M Tris Hcl pH8.5, 30%PEG4000 (JCSG core IV #21) |
