7EPF

Crystal structure of mGlu2 bound to NAM597

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	2019-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 2 21
Unit cell lengths	58.501, 86.440, 99.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.590 - 2.700
Rwork	0.258
R-free	0.28630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4or2 1i1o
RMSD bond length	0.013
RMSD bond angle	1.737
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.169	0.910
Number of reflections	14332	1349
<I/σ(I)>	25.8
Completeness [%]	98.5
Redundancy	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293.15	100 mM MES, pH 6.0~6.5, 50~200 mM NaCl, 50~150 mM MgCl2, 20%~35% (v/v) PEG 400