8END

Crystal structure of LGR ligand alpha2/beta5 from C. elegans in crystal form 1 (SeMet)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	92.530, 92.530, 95.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.270 - 3.540
R-factor	0.2864
Rwork	0.282
R-free	0.32950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8enb
RMSD bond length	0.003
RMSD bond angle	0.721
Data reduction software	XDS
Data scaling software	STARANISO
Refinement software	PHENIX (1.20rc3_4406)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.030	3.890
High resolution limit [Å]	3.540	3.540
Rmerge	0.455
Number of reflections	4990	413
<I/σ(I)>	21
Completeness [%]	92.8
Redundancy	494
CC(1/2)	1.000	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M magnesium chloride, 0.1 M MES, pH 6.0, 40% w/v PEG200, 5 mM DTT