5IKK

Structure of the histone deacetylase Clr3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97924
Spacegroup name	C 2 2 21
Unit cell lengths	60.487, 187.259, 142.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.815 - 2.400
R-factor	0.1888
Rwork	0.187
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2VQW (HDAC4)
RMSD bond length	0.006
RMSD bond angle	0.646
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.815	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.072	0.600
Number of reflections	31830
<I/σ(I)>	14.86	2.5
Completeness [%]	98.9	87.7
Redundancy	6.6	5.9
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	20% Ethyleneglycol 10% PEG 8000 0.1M MOPS/HEPES 0.04M Sodium nitrate 0.04M Sodium monophosphate 0.04M Ammonium sulfate