8DVC

Receptor ShHTL5 from Striga hermonthica in complex with strigolactone agonist GR24

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	2016-08-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97903
Spacegroup name	C 2 2 21
Unit cell lengths	99.269, 352.967, 124.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.801 - 2.638
R-factor	0.187
Rwork	0.185
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cbk
RMSD bond length	0.006
RMSD bond angle	1.160
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.680
High resolution limit [Å]	2.630	2.630
Rmerge	0.084	0.889
Rpim	0.040	0.457
Number of reflections	61856	3168
<I/σ(I)>	13.36	0.89
Completeness [%]	96.1	99.6
Redundancy	5.1	4.5
CC(1/2)		0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	2 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5, 8 mM GR24, 1% DMSO, 1% isopropanol, cryoprotectant: ethylene glycol