6HSZ

Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 2

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	2012-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98011
Spacegroup name	P 1
Unit cell lengths	70.774, 70.802, 98.343
Unit cell angles	77.85, 75.48, 85.28

Refinement procedure

Resolution	34.968 - 2.374
R-factor	0.1618
Rwork	0.159
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bz5
RMSD bond length	0.009
RMSD bond angle	0.985
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.970	2.459
High resolution limit [Å]	2.374	2.374
Rmerge	0.089
Number of reflections	69324	6161
<I/σ(I)>	14.44
Completeness [%]	95.0	84.13
Redundancy	3.4

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