7JVV

Crystal structure of human histone deacetylase 8 (HDAC8) E66D/Y306F double mutation complexed with a tetrapeptide substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	82.048, 97.470, 104.254
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.970 - 1.840
R-factor	0.166
Rwork	0.164
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ewf
RMSD bond length	0.006
RMSD bond angle	0.810
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.970	1.910
High resolution limit [Å]	1.840	1.840
Rmerge	0.111	0.760
Rpim	0.052	0.355
Number of reflections	72663	70664
<I/σ(I)>	13.8	2.3
Completeness [%]	97.5	99.4
Redundancy	5.2	5.1
CC(1/2)	0.999	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	294	0.1 M Tris, pH 8.0, 20% PEG6000, 4 mM TCEP