6B9I
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with 14-Methylhexadecanoic Acid (Anteiso C17:0) to 1.93 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-30 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 |
Unit cell lengths | 32.991, 54.170, 83.901 |
Unit cell angles | 104.71, 90.00, 107.73 |
Refinement procedure
Resolution | 38.073 - 1.930 |
R-factor | 0.1683 |
Rwork | 0.166 |
R-free | 0.20640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uto |
RMSD bond length | 0.003 |
RMSD bond angle | 0.550 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((dev_2906: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.870 | 1.980 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.135 | 0.629 |
Rmeas | 0.157 | 0.866 |
Rpim | 0.080 | 0.592 |
Number of reflections | 39271 | 2578 |
<I/σ(I)> | 10.1 | 1.9 |
Completeness [%] | 97.9 | 96.4 |
Redundancy | 3.8 | 2 |
CC(1/2) | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 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 |