6DES
Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide propoxycarbazone
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 | 2016-04-08 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 175.775, 175.775, 177.338 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.686 - 2.402 |
R-factor | 0.1347 |
Rwork | 0.134 |
R-free | 0.16470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dek |
RMSD bond length | 0.006 |
RMSD bond angle | 0.950 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.270 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.149 | 0.871 |
Rpim | 0.032 | 0.317 |
Number of reflections | 63279 | 4339 |
<I/σ(I)> | 26.1 | 3 |
Completeness [%] | 99.9 | 98.5 |
Redundancy | 21.9 | 21.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | 1 mM FAD, 1 mM ThDP, 5 mM MgCl2, 5 mM DTT, 3 mM sodium pyruvate, 1 M Na/K tartrate, 0.1 M CHES, and 0.2 M ammonium sulfate, 1 mM propoxycarbazone |