1CGK

CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH NARINGENIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	1998-06
Detector	MAC Science DIP-2000
Spacegroup name	P 32 2 1
Unit cell lengths	97.917, 97.917, 65.186
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	84.500 - 1.840
R-factor	0.162 *
Rwork	0.161
R-free	0.22500
Structure solution method	OTHER
Starting model (for MR)	1bi5
RMSD bond length	0.013
RMSD bond angle	2.419
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4 ((ARPP))
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.680	1.890
High resolution limit [Å]	1.840	1.840
Rmerge	0.041 *
Number of reflections	26948
<I/σ(I)>	13.7	7.5
Completeness [%]	86.6	8.3
Redundancy	2.8	0.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	4 *	THE DROPLE CONSISTED ON 25 MGR/ML (FINAL CONCENTRATION) PROTEIN MIXED WITH THE RESERVOIR WHICH CONTAINED 2.4 M AMMONIUM SULFATE, 100 MM PIPES BUFFER (PH 6.5) , IN THE PRESENCE (UP TO 5 MM) OR ABSENCE OF DTT REDUCING AGENT. CRYSTALS WERE STABILIZED IN 40% (V/V) PEG400, 100 MM PIPES 16 MM NARINGENIN PRIOR TO FREEZING AT 105 K, pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	reservoir	ammonium sulfate	2.2-2.4 (M)
3	1	reservoir	PIPES	0.1 (M)