6WYO

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) H82F F202Y double mutant complexed with Trichostatin A

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	2019-12-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	53.087, 123.993, 55.012
Unit cell angles	90.00, 114.42, 90.00

Refinement procedure

Resolution	50.090 - 2.300
R-factor	0.173674284168
Rwork	0.171
R-free	0.23198
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 5EEF
RMSD bond length	0.007
RMSD bond angle	0.904
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.100	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.054	0.418
Rpim	0.052	0.395
Number of reflections	28350	2842
<I/σ(I)>	8.9
Completeness [%]	98.7	98.4
Redundancy	3.4	3.2
CC(1/2)	0.996	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	10 mg/mL HDAC6 Protein 0.2 M Potassium acetate 20% peg 3350 1:1 ratio protein to precipitant solution