6GXU

Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.006365
Spacegroup name	P 1
Unit cell lengths	70.420, 70.460, 97.910
Unit cell angles	77.96, 75.94, 85.97

Refinement procedure

Resolution	46.549 - 1.917
R-factor	0.2036
Rwork	0.201
R-free	0.24840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bz5
RMSD bond length	0.007
RMSD bond angle	0.882
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]	46.550	1.986
High resolution limit [Å]	1.917	1.917
Number of reflections	118789
<I/σ(I)>	5.58
Completeness [%]	86.7
Redundancy	1.8

Crystallization Conditions

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