6DVN

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-137

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.18
Spacegroup name	P 1 21 1
Unit cell lengths	78.550, 95.500, 98.250
Unit cell angles	90.00, 98.60, 90.00

Refinement procedure

Resolution	48.573 - 2.200
R-factor	0.1899
Rwork	0.188
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eem
RMSD bond length	0.003
RMSD bond angle	0.598
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.500	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.228	0.764
Rpim	0.102	0.371
Number of reflections	69939	6728
<I/σ(I)>	7	2.6
Completeness [%]	96.0	92.6
Redundancy	5.8	5
CC(1/2)	0.987	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.2M ammonium tartrate dibasic (7.0), 20% w/v PEG 3350