5EFJ

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HC toxin

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	2015-10-01
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 2
Unit cell lengths	83.530, 94.144, 51.476
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.072 - 1.730
R-factor	0.153
Rwork	0.152
R-free	0.17310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eek
RMSD bond length	0.011
RMSD bond angle	1.308
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.730	1.730
Rmerge	0.151	0.442
Number of reflections	42871
<I/σ(I)>	14	1.6
Completeness [%]	98.7	90.6
Redundancy	6.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M sodium nitrate, 20% PEG3350