5K2O
Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, pyrithiobac
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 | 2014-12-04 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95370 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 179.090, 179.090, 184.969 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.299 - 2.873 |
R-factor | 0.1481 |
Rwork | 0.146 |
R-free | 0.17860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yhy |
RMSD bond length | 0.002 |
RMSD bond angle | 0.800 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.920 |
High resolution limit [Å] | 2.870 | 2.870 |
Rmerge | 0.087 | 0.769 |
Number of reflections | 40366 | |
<I/σ(I)> | 41 | 2.71 |
Completeness [%] | 99.9 | 100 |
Redundancy | 21.4 | 21.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 290 | Sodium citrate, PEG 3350, FAD, ThDP, Magnesium chloride, DTT, Pyrithiobac |