7UZO

Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing one beta-amino acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2021-06-19
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	H 3
Unit cell lengths	56.023, 56.023, 100.823
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.010 - 1.300
R-factor	0.1585
Rwork	0.157
R-free	0.18200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fj3
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	XSCALE (Feb 5, 2021)
Phasing software	PHASER
Refinement software	PHENIX (PHENIX 1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.010	28.010	1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge	0.044	0.035	0.904
Rmeas	0.047	0.037	1.008
Total number of observations	291893
Number of reflections	29018	320	2070
<I/σ(I)>	22.57	51.09	1.7
Completeness [%]	99.5	98.5	94.6
Redundancy	10.059	10.172	5.094
CC(1/2)	1.000	0.998	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	28 % v/v PEG Smear Low, 0.1 M tris-HCl pH 8, 0.15 M Sodium citrate, 1% ethylene glycol, 0.4 mM ZnSO4