1YBH

Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide Chlorimuron Ethyl

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	178.518, 178.518, 184.776
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.1951
Rwork	0.192
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n0h
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.056
Number of reflections	59390
<I/σ(I)>	24.3	4.1
Completeness [%]	98.9	97.2
Redundancy	8.3	4.4

Crystallization Conditions

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