9EU0

Crystal structure of Danio rerio HDAC6 CD2 in complex with hydrolyzed DFMO-inhibitor (ITF7209)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	74.710, 91.560, 96.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.065 - 1.860
Rwork	0.176
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.633
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.065	1.910
High resolution limit [Å]	1.860	1.860
Number of reflections	56003	4085
<I/σ(I)>	8.67	1.82
Completeness [%]	99.9	99.5
Redundancy	12.9
CC(1/2)	0.997	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.1% (w/v) nOctyl-b-D-glucoside, 0.1 M Sodium citrate tribasic dihydrate pH 5.5, 21% (w/v) PEG 3350