7JVW

Crystal structure of human histone deacetylase 8 (HDAC8) G320R mutation complexed with M344

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-09
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	52.980, 82.750, 94.520
Unit cell angles	90.00, 98.84, 90.00

Refinement procedure

Resolution	48.990 - 2.403
R-factor	0.198349862029
Rwork	0.195
R-free	0.25433
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ewf
RMSD bond length	0.008
RMSD bond angle	0.934
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.750	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.148	0.961
Rpim	0.090	0.571
Number of reflections	31564	30670
<I/σ(I)>	8.7	1.7
Completeness [%]	97.4	96
Redundancy	3.8	3.8
CC(1/2)	0.981	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.3	294	0.1 M MES, pH 5.3, 3% PEG1500, 4 mM TCEP