8ET5

Crystal structure of arabidopsis thaliana acetohydroxyacid synthase S653T mutant 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	2018-10-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.954
Spacegroup name	P 64 2 2
Unit cell lengths	179.593, 179.593, 184.772
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.280 - 2.940
R-factor	0.1897
Rwork	0.188
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k2o
RMSD bond length	0.001
RMSD bond angle	0.721
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]	48.280	3.070
High resolution limit [Å]	2.940	2.940
Rpim	0.046	0.369
Number of reflections	37732	4382
<I/σ(I)>	12.4	1.6
Completeness [%]	99.6
Redundancy	14.6
CC(1/2)	0.998	0.835

Crystallization Conditions

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