7ZZW

Ligand binding to HDAC2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	92.149, 97.934, 139.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.410 - 1.730
R-factor	0.1656
Rwork	0.164
R-free	0.18910
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.408
Data reduction software	HKL-2000
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.410	1.740
High resolution limit [Å]	1.640	1.640
Rmeas	0.095	0.824
Number of reflections	132203	42988
<I/σ(I)>	6.46
Completeness [%]	98.8
Redundancy	3.92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	41% PEG 300 0.1M pH=8.8 CHES/NaOH