1YHY

Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide, Metsulfuron methyl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	P 64 2 2
Unit cell lengths	178.226, 178.226, 185.248
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.700
R-factor	0.1959
Rwork	0.193
R-free	0.22350
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1ybh
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.099
Number of reflections	45178
<I/σ(I)>	7.3	3.1
Completeness [%]	93.8	95.5
Redundancy	3.9	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	Tris, FAD, DTT, ThDP, magnesium chloride, metsulfuron methyl,CHES, lithium sufate, potassium sodium tartrate , pH 9.0-9.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K