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