8D51

Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing beta-3-homotryptophan

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	58.472, 58.472, 206.331
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.140 - 2.000
R-factor	0.2236
Rwork	0.222
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h3g
RMSD bond length	0.002
RMSD bond angle	0.442
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]	49.179	2.206
High resolution limit [Å]	1.997	1.997
Rmerge	0.052	0.831
Rmeas	0.063	0.947
Rpim	0.027	0.628
Number of reflections	7236	362
<I/σ(I)>	12.6	1.5
Completeness [%]	75.2
Redundancy	5.4
CC(1/2)	0.999	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	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