1T9A

Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.90
Spacegroup name	P 4 2 2
Unit cell lengths	154.586, 154.586, 178.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.590
R-factor	0.16
Rwork	0.156
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n0h
RMSD bond length	0.005
RMSD bond angle	1.157
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.680
High resolution limit [Å]	2.580	2.580
Rmerge	0.072	0.253
Number of reflections	67083
<I/σ(I)>	14.6	5.95
Completeness [%]	97.8	78.8
Redundancy	7.72	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	290	potassium phosphate, thiamin diphosphate, FAD, magnesium chloride, DTT, tribenuron methyl, Tris-HCl, Lithium sulfate, sodium potassium tartrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K