5W3K
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, Mg2+ and CPD
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 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.941, 80.773, 66.748 |
| Unit cell angles | 90.00, 92.49, 90.00 |
Refinement procedure
| Resolution | 34.545 - 1.589 |
| R-factor | 0.1606 |
| Rwork | 0.160 |
| R-free | 0.18660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xdz |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.057 |
| 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] | 34.545 | 1.620 |
| High resolution limit [Å] | 1.589 | 1.590 |
| Rmerge | 0.065 | 0.659 |
| Rpim | 0.025 | 0.285 |
| Number of reflections | 90047 | 4239 |
| <I/σ(I)> | 15.2 | 2.1 |
| Completeness [%] | 98.8 | 94 |
| Redundancy | 7.6 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289.15 | 0.2 M Sodium acetate pH8 22.5 % PEG 3350 |
