3SFH

Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-01
Detector	RIGAKU SATURN 92
Spacegroup name	P 1 21 1
Unit cell lengths	57.643, 53.366, 60.893
Unit cell angles	90.00, 109.47, 90.00

Refinement procedure

Resolution	29.820 - 2.700
R-factor	0.179
Rwork	0.175
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.700
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNX (2005)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.820
High resolution limit [Å]	2.700
Number of reflections	8238
Completeness [%]	84.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	100 mM Tris, pH 8.0, 500 mM NDSB-201, 12% PEG3350, 18% isopropanol, cryoprotectant: 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K