7U1D
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase P197T mutant in complex with 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 | PIXEL |
Collection date | 2019-09-20 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.954 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 178.479, 178.479, 184.169 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.620 - 3.110 |
R-factor | 0.1776 |
Rwork | 0.176 |
R-free | 0.20480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5k2o |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.620 | 3.270 |
High resolution limit [Å] | 3.110 | 3.110 |
Number of reflections | 31789 | 4489 |
<I/σ(I)> | 17.2 | |
Completeness [%] | 99.8 | |
Redundancy | 39.8 | |
CC(1/2) | 0.999 | 0.775 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.4 | 293 | CHES buffer, potassium sodium tartrate, ammonium sulfate |