6C5N
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-02-28 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.480, 80.394, 67.304 |
| Unit cell angles | 90.00, 90.13, 90.00 |
Refinement procedure
| Resolution | 46.613 - 1.673 |
| R-factor | 0.1556 |
| Rwork | 0.155 |
| R-free | 0.19220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5w3k |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.185 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.630 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.081 | 0.740 |
| Rpim | 0.034 | 0.322 |
| Number of reflections | 79180 | 3915 |
| <I/σ(I)> | 13.2 | 1.9 |
| Completeness [%] | 99.8 | 97 |
| Redundancy | 7.5 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289.15 | 0.1M Imidazole pH8 17.5% PEG 8000 |
