7UZP

parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing three beta-amino acids

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	C 1 2 1
Unit cell lengths	101.650, 58.949, 77.924
Unit cell angles	90.00, 117.57, 90.00

Refinement procedure

Resolution	34.540 - 2.290
R-factor	0.2107
Rwork	0.209
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fj3
Data reduction software	autoPROC (1.0.5 (20210420))
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.540	34.540	2.350
High resolution limit [Å]	2.290	10.240	2.290
Rmerge	0.100	0.080	0.836
Rmeas	0.107	0.087	0.903
Total number of observations	139252
Number of reflections	18565	216	1379
<I/σ(I)>	12.62	24.96	2.54
Completeness [%]	99.7	95.6	99.9
Redundancy	7.501	6.06	7.058
CC(1/2)	0.997	0.993	0.771

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