5VI6

Crystal structure of histone deacetylase 8 in complex with trapoxin A

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	2016-11-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 32
Unit cell lengths	50.980, 50.980, 116.517
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.286 - 1.237
R-factor	0.1224
Rwork	0.121
R-free	0.14330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ewf
RMSD bond length	0.009
RMSD bond angle	1.033
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall
Low resolution limit [Å]	44.150
High resolution limit [Å]	1.237
Rmerge	0.046
Rpim	0.035
Number of reflections	95873
<I/σ(I)>	13.7
Completeness [%]	99.1
Redundancy	4.8
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	35% dioxane