5Z7Y

Crystal structure of Striga hermonthica HTL7 (ShHTL7)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2016-11-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9800
Spacegroup name	P 1
Unit cell lengths	46.086, 72.609, 81.122
Unit cell angles	97.69, 95.39, 107.07

Refinement procedure

Resolution	43.617 - 1.900
R-factor	0.2128
Rwork	0.211
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z7x
RMSD bond length	0.004
RMSD bond angle	0.663
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.900	1.900
Rmeas	0.123	0.478
Number of reflections	72978	10951
<I/σ(I)>	7.9	2.2
Completeness [%]	93.8	87
Redundancy	2.3	2.2
CC(1/2)	0.994	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	90mM Tris-HCl (pH 8.5), 27% (w/v) PEG 5000, 180mM MgCl2, 3.5% 1,4-dioxane