7KBG

Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9813
Spacegroup name	P 21 21 21
Unit cell lengths	92.260, 99.270, 139.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.080 - 1.260
R-factor	0.1847
Rwork	0.184
R-free	0.19640
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.960
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BUSTER
Refinement software	BUSTER (2.11.7 (19-MAR-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.310
High resolution limit [Å]	1.260	1.260
Rmerge	0.065	0.919
Number of reflections	335871	32760
<I/σ(I)>	23.8	2
Completeness [%]	98.3
Redundancy	6

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