8OYY

De novo designed soluble GPCR-like fold GLF_32

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-08
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 21 21 21
Unit cell lengths	39.278, 56.783, 202.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.680 - 1.850
R-factor	0.1958
Rwork	0.194
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.745
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.680	1.918
High resolution limit [Å]	1.850	1.852
Rmerge	0.096	1.526
Number of reflections	38883	3930
<I/σ(I)>	15.44	1.66
Completeness [%]	97.7	99.82
Redundancy	11.6	11.6
CC(1/2)	0.999	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277.15	0.1 M Na Acet pH 5.5, 0.2 M KBr, 25% PEG MME 2000