3EWF

Crystal Structure Analysis of human HDAC8 H143A variant complexed with substrate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	82.903, 91.844, 196.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.150 - 2.500
R-factor	0.198
Rwork	0.198
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v5w
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.137	0.517
Number of reflections	52790
<I/σ(I)>	11.8	1.8
Completeness [%]	99.4	95.2
Redundancy	7.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	Reservoir solution: 50 mM Tris-HCl, 50 mM MgCl2, 150 mM KCl, 13% PEG 6000, 2 mM TCEP. Enzyme was incubated with 3.2 mM substrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8	298	Reservoir solution: 50 mM Tris-HCl, 50 mM MgCl2, 150 mM KCl, 13% PEG 6000, 2 mM TCEP. Enzyme was incubated with 3.2 mM substrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K