8OEK

Crystal structure of the HormR-GAIN domains of adhesion GPCR ADGRB2 (BAI2) in the uncleaved state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.77121
Spacegroup name	P 21 21 2
Unit cell lengths	84.864, 95.183, 49.465
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.340 - 2.220
R-factor	0.2318
Rwork	0.229
R-free	0.28660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.658
Data reduction software	XDS (Feb 5, 2021 (BUILT 20210323))
Data scaling software	Aimless (0.7.7)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.343	2.447
High resolution limit [Å]	2.216	2.216
Rmerge	0.214	1.855
Rmeas	0.223	1.983
Rpim	0.062	0.583
Number of reflections	13145	658
<I/σ(I)>	9.9	1.3
Completeness [%]	63.8	12.6
Redundancy	12.5	10.5
CC(1/2)	0.997	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	100 mM sodium cacodylate pH 6.5, 200 mM MgCl2 and 20 % (w/v) PEG 8,000