6NYU
The X-ray crystal structure of Staphylococcus aureus Fatty Acid Kinase (Fak) B1 F263T mutant protein to 2.18 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 | 2016-12-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 |
Unit cell lengths | 32.846, 54.090, 83.729 |
Unit cell angles | 105.05, 90.00, 107.67 |
Refinement procedure
Resolution | 40.279 - 2.183 |
R-factor | 0.1863 |
Rwork | 0.183 |
R-free | 0.24310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uto |
RMSD bond length | 0.001 |
RMSD bond angle | 0.385 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((dev_3354: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.560 | 2.250 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.134 | 0.394 |
Rmeas | 0.156 | 0.548 |
Rpim | 0.080 | 0.379 |
Number of reflections | 26506 | 1800 |
<I/σ(I)> | 11.6 | 3.8 |
Completeness [%] | 96.6 | 76.5 |
Redundancy | 3.8 | 1.7 |
CC(1/2) | 0.973 | 0.552 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 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 |