1D6I

CHALCONE SYNTHASE (H303Q MUTANT)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	1999-03-11
Detector	MACSCIENCE
Spacegroup name	P 31 2 1
Unit cell lengths	97.856, 97.856, 129.601
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.000 - 2.000
Rwork	0.196
R-free	0.26861
RMSD bond length	0.015 *
RMSD bond angle	3.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.068	0.390
Total number of observations	168254 *
Number of reflections	45654
<I/σ(I)>	6.3
Completeness [%]	93.0	87.8
Redundancy	3.69	2.71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	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)