6C55
Crystal structure of Staphylococcus aureus Ketol-acid Reductosimerrase with hydroxyoxamate inhibitor 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.724, 79.032, 69.640 |
| Unit cell angles | 90.00, 101.39, 90.00 |
Refinement procedure
| Resolution | 39.516 - 2.090 |
| R-factor | 0.1654 |
| Rwork | 0.163 |
| R-free | 0.20620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5w3k |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.887 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.610 | 2.150 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.082 | 0.612 |
| Rpim | 0.052 | 0.399 |
| Number of reflections | 41023 | 2928 |
| <I/σ(I)> | 8.7 | 1.6 |
| Completeness [%] | 98.9 | 90.9 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289.15 | 0.2M Sodium Acetate pH8, 22.5% PEG3350 |
