1D6F

CHALCONE SYNTHASE C164A MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	1999-08-01
Detector	MACSCIENCE
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	24.450 - 1.690
Rwork	0.182
R-free	0.20100
RMSD bond length	0.009 *
RMSD bond angle	2.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.730
High resolution limit [Å]	1.690	1.690
Rmerge	0.026	0.089
Total number of observations	88359 *
Number of reflections	39526
<I/σ(I)>	18.8
Completeness [%]	97.0	83.2
Redundancy	2.2	2

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 BIS-TRIS PROPANE, 2 MM DITHIOTHREITOL (DTT), pH 6.5, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.2-2.4 (M)
2	1	reservoir	bis-Tris-propane	0.1 (M)
3	1	reservoir	dithiothreitol	2 (mM)