7EPE

Crystal structure of mGlu2 bound to NAM563

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 2 21
Unit cell lengths	58.521, 86.402, 99.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.820 - 2.500
Rwork	0.239
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4or2 1i1o
RMSD bond length	0.014
RMSD bond angle	1.763
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.144
Number of reflections	17691	1681
<I/σ(I)>	28.1
Completeness [%]	99.2
Redundancy	9.3
CC(1/2)		0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293.15	100 mM HEPES, pH 7.0, 100~200 mM NaCl, 100~200 mM MgCl2, and 20~30%(v/v) PEG 400