8ET4

Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with amidosulfuron

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	2017-06-07
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.979
Spacegroup name	P 64 2 2
Unit cell lengths	179.026, 179.026, 185.032
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.260 - 2.950
R-factor	0.1814
Rwork	0.180
R-free	0.20540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k2o
RMSD bond length	0.002
RMSD bond angle	0.767
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	3.080
High resolution limit [Å]	2.950	2.950
Rpim	0.032	0.251
Number of reflections	37363	4409
<I/σ(I)>	17.3
Completeness [%]	99.7	98.2
Redundancy	13.3	13.3
CC(1/2)	0.999	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.8	293	CHES buffer, potassium sodium tartrate, sodium sulfate