7MOZ

Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 25)

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	2016-08-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	92.478, 98.989, 139.489
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.550 - 1.543
R-factor	0.177
Rwork	0.176
R-free	0.20050
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 (2.11.8 (10-DEC-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	139.500	1.548
High resolution limit [Å]	1.543	1.543
Number of reflections	187975	1806
<I/σ(I)>	14.2
Completeness [%]	100.0
Redundancy	14.2
CC(1/2)	0.999	0.735

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