3EW8

Crystal Structure Analysis of human HDAC8 D101L variant

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 2
Unit cell lengths	90.557, 88.911, 52.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.340 - 1.800
R-factor	0.176
Rwork	0.176
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t67
RMSD bond length	0.009
RMSD bond angle	1.400
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	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.089
Number of reflections	39760
<I/σ(I)>	20	3.9
Completeness [%]	99.7	99.5
Redundancy	7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	298	Drop composition: 25 mM Tris, 2.5% glycerol, 75 mM KCl, 1-5% PEG MME 550, 50 mM MES, 1 mM tri(2-carboxyethyl)phosphine (TCEP), 0.03 mM gly-gly-gly, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K