3WG8

Crystal structure of the abscisic acid receptor PYR1 in complex with an antagonist AS6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2013-02-10
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9800
Spacegroup name	P 31 2 1
Unit cell lengths	66.932, 66.932, 78.237
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.450 - 2.300
R-factor	0.2395
Rwork	0.237
R-free	0.28139
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k90
RMSD bond length	0.015
RMSD bond angle	1.843
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	9259
Completeness [%]	98.7	98.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% PEG 10000, 0.1M HEPES, 1mM AS6, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K