1CML

CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH MALONYL-COA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	1998-07
Detector	MAC Science DIP-2000
Spacegroup name	P 32 2 1
Unit cell lengths	97.768, 97.768, 65.228
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	84.520 - 1.690
R-factor	0.177 *
Rwork	0.167
R-free	0.20000
Structure solution method	OTHER
Starting model (for MR)	1bi5
RMSD bond length	0.011
RMSD bond angle	2.141
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]	84.520	1.730
High resolution limit [Å]	1.690	1.690
Rmerge	0.026 *
Number of reflections	39507
<I/σ(I)>	15.3	7.9
Completeness [%]	97.3	83.2
Redundancy	2.16	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	4 *	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)