6J2R

Crystal structure of Striga hermonthica HTL8 (ShHTL8)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-12-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97890
Spacegroup name	P 21 21 21
Unit cell lengths	43.628, 83.483, 84.077
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.161 - 1.400
R-factor	0.1719
Rwork	0.171
R-free	0.18620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a9d
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.000	1.420
High resolution limit [Å]	1.399	3.800	1.400
Rmerge	0.080	0.061	0.308
Rmeas	0.088	0.068	0.404
Rpim	0.038	0.029	0.256
Number of reflections	58744	3269	2039
<I/σ(I)>	7.9
Completeness [%]	95.4	97.9	67.3
Redundancy	4.8	5.1	2
CC(1/2)		0.993	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	303	0.2 M ammonium formate, 20% (w/v) PEG 3500 and 0.1 M ADA pH 6.6