7RZK
Co-soak crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with ADP to 1.9 Angstrom resolution - SAD data
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 | 2017-02-26 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.6039 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.005, 57.521, 81.248 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.950 - 1.900 |
| R-factor | 0.1526 |
| Rwork | 0.151 |
| R-free | 0.18980 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.545 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELXDE |
| Refinement software | PHENIX (dev_4302) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.250 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.108 | 0.868 |
| Rpim | 0.033 | 0.336 |
| Number of reflections | 16525 | 1041 |
| <I/σ(I)> | 12.6 | 1.9 |
| Completeness [%] | 100.0 | 99.6 |
| Redundancy | 11.7 | |
| CC(1/2) | 0.998 | 0.883 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M ammonium formate, 20% w/v PEG3350 |
