7SNU

Crystal structure of ShHTL7 from Striga hermonthica in complex with strigolactone antagonist RG6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97913
Spacegroup name	P 65
Unit cell lengths	96.216, 96.216, 69.358
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.680 - 1.460
R-factor	0.1286
Rwork	0.128
R-free	0.16150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cbk
RMSD bond length	0.006
RMSD bond angle	1.012
Data reduction software	HKL-3000 (1.11)
Data scaling software	HKL-3000 (1.11)
Phasing software	PHENIX (1.19.1_4122)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.490
High resolution limit [Å]	1.460	1.460
Rmerge	0.059	0.460
Rpim	0.023	0.233
Number of reflections	62389	2550
<I/σ(I)>	28.67	2.4
Completeness [%]	98.4	80.8
Redundancy	6.9	4.2
CC(1/2)		0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	1 M sodium acetate, 0.1 M imidazole pH 7.0, 5% glycerol