6GXA

Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9801
Spacegroup name	P 1
Unit cell lengths	70.200, 70.441, 97.721
Unit cell angles	75.55, 78.23, 85.82

Refinement procedure

Resolution	43.146 - 2.100
R-factor	0.1773
Rwork	0.175
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bz5
RMSD bond length	0.007
RMSD bond angle	0.998
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (dev_1702)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.270
High resolution limit [Å]	2.100	2.100
Number of reflections	88612
<I/σ(I)>	7.83
Completeness [%]	95.9
Redundancy	2.9

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