6WBZ

Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	92.390, 99.170, 139.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.260 - 1.320
R-factor	0.173
Rwork	0.172
R-free	0.19200
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.560	1.343
High resolution limit [Å]	1.320	1.320
Number of reflections	298863	14601
<I/σ(I)>	13.1
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)	0.999	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5