6CW8

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with RTS-V5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	48.310, 128.430, 260.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.724 - 1.900
R-factor	0.153
Rwork	0.151
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eem
RMSD bond length	0.007
RMSD bond angle	0.858
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]	64.210	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.350	1.584
Rmeas	0.372	1.694
Rpim	0.124	0.592
Number of reflections	64520	4092
<I/σ(I)>	7
Completeness [%]	100.0	100
Redundancy	8.8	7.8
CC(1/2)	0.977	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 mg/mL ZCD2 1:1 drop ratio of protein to precipitant 0.2M lithium chloride, 20% w/v Polyethylene glycol (PEG) 3350 Crystals appeared within 2-3 days