6DEL
Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide chlorimuron ethyl
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 | 2016-03-19 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95370 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 176.306, 176.306, 177.672 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.794 - 2.119 |
R-factor | 0.1632 |
Rwork | 0.163 |
R-free | 0.18710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dek |
RMSD bond length | 0.005 |
RMSD bond angle | 1.058 |
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] | 48.390 | 2.160 |
High resolution limit [Å] | 2.119 | 2.120 |
Rmerge | 0.161 | 0.895 |
Rmeas | 0.169 | 0.942 |
Rpim | 0.051 | 0.291 |
Number of reflections | 91976 | 4219 |
<I/σ(I)> | 11.3 | |
Completeness [%] | 99.7 | 93.7 |
Redundancy | 21.4 | 18.7 |
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 chlorimuron ethyl |