6FU1

Crystal structure of Schistosoma mansoni HDAC8 complexed with a n-alkyl hydroxamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9537
Spacegroup name	P 1
Unit cell lengths	70.710, 70.690, 99.190
Unit cell angles	75.33, 77.78, 84.80

Refinement procedure

Resolution	41.962 - 1.548
R-factor	0.2006
Rwork	0.199
R-free	0.22270
RMSD bond length	0.007
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.962	1.590
High resolution limit [Å]	1.548	1.548
Rmerge	0.063	0.747
Number of reflections	253075
<I/σ(I)>	11.87	1.94
Completeness [%]	95.6	87.8
Redundancy	3.5	2.9
CC(1/2)	0.994	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M NA,K L-TARTRATE 21% (W/V) PEG3350