5WGL

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ricolinostat (ACY-1215)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-09-20
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	87.189, 88.002, 119.025
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.298 - 1.700
R-factor	0.185
Rwork	0.184
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eem
RMSD bond length	0.019
RMSD bond angle	1.225
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_2776: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.300
High resolution limit [Å]	1.700	1.700
Number of reflections	101104
<I/σ(I)>	14.1
Completeness [%]	99.9
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	sodium citrate, pH 5.5, PEG8000