1C3P

CRYSTAL STRUCTURE OF AN HDAC HOMOLOG FROM AQUIFEX AEOLICUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	103
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	C 1 2 1
Unit cell lengths	51.400, 93.800, 78.700
Unit cell angles	90.00, 96.90, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.198
Rwork	0.198
R-free	0.24000
RMSD bond length	0.010 *
RMSD bond angle	1.630 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.800
Rmerge	0.029
Total number of observations	134952 *
Number of reflections	32143 *
Completeness [%]	92.3 *
Redundancy	4.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7		PEG 1500, SODIUM CHLORIDE, ISOPROPANOL, TRIS-HCL, pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	isopropanol	7.5 (%)
2	1	reservoir	PEG1500	28 (%)
3	1	reservoir		425 (mM)
4	1	reservoir	Tris-Cl	100 (mM)