5VII

Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-(3-fluoropropyl)phenyl-ACEPC

Replaces:  5DDX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	54.582, 87.362, 122.596
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.006 - 1.951
R-factor	0.2027
Rwork	0.200
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nf8
RMSD bond length	0.008
RMSD bond angle	0.894
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.010	2.020
High resolution limit [Å]	1.951	1.950
Number of reflections	42271	3721
<I/σ(I)>	7.59	1.92
Completeness [%]	97.4	87
Redundancy	4.6	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonia Acetate, PEG 4000