9DM6

Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with an ethylhydrazide inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	78.419, 95.590, 98.079
Unit cell angles	90.00, 98.64, 90.00

Refinement procedure

Resolution	65.550 - 1.400
R-factor	0.1444
Rwork	0.144
R-free	0.16260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.853
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.550	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.153	0.641
Rpim	0.077	0.340
Number of reflections	276768	27233
<I/σ(I)>	7.9	2.7
Completeness [%]	98.7
Redundancy	5.2
CC(1/2)	0.977	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	10 mg/mL HDAC6 Protein Precipitate condition