1I89

Chalcone synthase (G256L)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	1999-07-09
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	P 31 2 1
Unit cell lengths	98.103, 98.103, 131.132
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.200 - 1.860
R-factor	0.206 *
Rwork	0.215
R-free	0.25900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	wild-type CHS
RMSD bond length	0.021
RMSD bond angle	1.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.200	1.900
High resolution limit [Å]	1.860	1.860
Rmerge	0.042	0.145
Total number of observations	390574 *
Number of reflections	57245
<I/σ(I)>	21.9	5.7
Completeness [%]	97.3	85
Redundancy	6.3	4.3

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)