1D6H

CHALONE SYNTHASE (N336A MUTANT COMPLEXED WITH COA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	1998-08-01
Detector	MACSCIENCE
Spacegroup name	P 32 2 1
Unit cell lengths	97.361, 97.361, 65.207
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.000 - 2.150
Rwork	0.184
R-free	0.25700 *
RMSD bond length	0.015 *
RMSD bond angle	3.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.000	2.200
High resolution limit [Å]	2.150	2.150
Rmerge	0.056	0.303
Total number of observations	49636 *
Number of reflections	18202
<I/σ(I)>	9.1
Completeness [%]	91.9	90.5
Redundancy	2.72	2.27

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)