6OVE

Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-propylphenyl-ACEPC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	54.694, 86.987, 121.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.030 - 2.000
R-factor	0.1841
Rwork	0.182
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i57
RMSD bond length	0.002
RMSD bond angle	0.492
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.15_3459))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.030	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.115	0.576
Rmeas	0.121	0.633
Rpim	0.037	0.253
Number of reflections	39766	3732
<I/σ(I)>	13.91	2.75
Completeness [%]	99.2	94.77
Redundancy	9.8	5.3
CC(1/2)	0.998	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M AMMONIUM SULFATE AND 16-22% PEG 4000