7KBH

Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16)

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	2014-10-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	92.410, 98.800, 139.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.200 - 2.680
R-factor	0.1528
Rwork	0.149
R-free	0.22070
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	BUSTER (2.11.7 (19-MAR-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	2.686
High resolution limit [Å]	2.677	2.677
Number of reflections	36728	370
<I/σ(I)>	6.7	2.1
Completeness [%]	100.0
Redundancy	5.7
CC(1/2)	0.984	0.739

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