7JVU

Crystal structure of human histone deacetylase 8 (HDAC8) I45T mutation complexed with SAHA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	53.314, 84.118, 94.281
Unit cell angles	90.00, 99.06, 90.00

Refinement procedure

Resolution	15.995 - 1.500
R-factor	0.165440737685
Rwork	0.164
R-free	0.18459
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ewf
RMSD bond length	0.005
RMSD bond angle	0.805
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]	55.910	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.074	0.795
Rpim	0.034	0.389
Number of reflections	131305	130929
<I/σ(I)>	19.5	2.3
Completeness [%]	99.8	99.9
Redundancy	5.6	5.1
CC(1/2)	0.998	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M imidazole, pH 7.0, 15% PEG35000, 4 mM TCEP