8D52

Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing (2-naphthyl)-beta-3-homoalanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920105
Spacegroup name	H 3 2
Unit cell lengths	57.383, 57.383, 205.208
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.300 - 2.020
R-factor	0.2072
Rwork	0.204
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h3g
RMSD bond length	0.005
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.18rc7_3834)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.403	2.163
High resolution limit [Å]	2.020	2.020
Rmerge	0.072	1.123
Rmeas	0.088
Rpim		0.791
Number of reflections	7246	361
<I/σ(I)>	9.1
Completeness [%]	81.1	22.1
Redundancy	4.2	5.1
CC(1/2)	0.997	0.551

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	28 % v/v PEG Smear Low, 0.1 M tris-HCl pH 8, 0.15 M Sodium citrate, 1% ethylene glycol, 1 mM ZnSO4