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 |