9DA9

Crystal structure of GluN1/GluN2A agonist-binding domains in complex with 7CKA and glutamate

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	2024-02-01
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.979460
Spacegroup name	P 21 21 21
Unit cell lengths	54.244, 87.338, 135.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.970 - 2.050
R-factor	0.1709
Rwork	0.168
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.132
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.970	2.123
High resolution limit [Å]	2.050	2.050
Rmerge	0.102	1.086
Rmeas	0.109	1.217
Rpim	0.037	0.528
Number of reflections	41091	3954
<I/σ(I)>	7.87	1.72
Completeness [%]	99.4	97.49
Redundancy	8.1	4.7
CC(1/2)	0.998	0.519

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M ammonium acetate and 14-18% PEG 4000