1I8B

Chalcone synthase (G256F)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	2000-07-19
Detector	MACSCIENCE
Wavelength(s)	1.54
Spacegroup name	P 31 2 1
Unit cell lengths	97.964, 97.964, 130.305
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.700 - 1.950
R-factor	0.195 *
Rwork	0.201
R-free	0.25100
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.022
RMSD bond angle	2.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.700	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.051	0.360
Total number of observations	376124 *
Number of reflections	51488 *
<I/σ(I)>	14.7	2.1
Completeness [%]	97.5	99.2
Redundancy	7.12	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	4 *	2.2-2.4 M ammonium sulfate, 0.1 M PIPES, 5 mM DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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)	pH6.5
4	1	reservoir	dithiothreitol	5 (mM)