1EYQ

Chalcone isomerase and naringenin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	105
Detector technology	CCD
Collection date	1999-12-12
Detector	ADSC QUANTUM 4
Spacegroup name	P 65 2 2
Unit cell lengths	88.624, 88.624, 350.369
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.700 - 1.850
R-factor	0.208 *
Rwork	0.237
R-free	0.26200
RMSD bond length	0.019
RMSD bond angle	2.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.048	0.650
Total number of observations	697121 *
Number of reflections	60531
<I/σ(I)>	28
Completeness [%]	85.6	60.6
Redundancy	11.5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	4 *	25% glycerol, 1.8 M ammonium sulfate, 0.05 M PIPES, 5% ethanol, 2.5 mM naringenin, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 302K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	reservoir	(2S/2R)-naringenin	2.5 (mM)
3	1	reservoir	ethanol	5 (%(v/v))