5EFK

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (Y745F mutant) in complex with alpha tubulin K40 tripeptide substrate

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	83.277, 94.667, 51.622
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.322 - 1.820
R-factor	0.1583
Rwork	0.157
R-free	0.18340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eek
RMSD bond length	0.007
RMSD bond angle	1.110
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	1.950
High resolution limit [Å]	1.820	1.820
Rmerge	0.164	0.655
Number of reflections	37390
<I/σ(I)>	0.655	1.1
Completeness [%]	94.1	94.1
Redundancy	11	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	0.1 M Bicine, pH 9.0, 2% v/v 1,4-dioxane, 10% PEG20000