6ALW
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with 12-Methyl Myristic Acid (C15:0) to 1.63 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 | 2016-11-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 |
Unit cell lengths | 33.348, 54.529, 84.415 |
Unit cell angles | 105.13, 90.00, 107.81 |
Refinement procedure
Resolution | 40.591 - 1.630 |
R-factor | 0.1571 |
Rwork | 0.155 |
R-free | 0.19670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uto |
RMSD bond length | 0.010 |
RMSD bond angle | 0.952 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.180 | 1.660 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.184 | 0.906 |
Rmeas | 0.212 | |
Rpim | 0.106 | 0.524 |
Number of reflections | 66112 | 3294 |
<I/σ(I)> | 8.6 | 2 |
Completeness [%] | 97.2 | 95.2 |
Redundancy | 4 | 4 |
CC(1/2) | 0.985 | 0.662 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 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 |