6USV

Crystal structure of GluN1/GluN2A ligand-binding domain in complex with glycine and SDZ 220-040

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	59.281, 85.131, 121.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.497 - 2.304
R-factor	0.1984
Rwork	0.195
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nf8
RMSD bond length	0.008
RMSD bond angle	1.084
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.500	2.340
High resolution limit [Å]	2.300	2.300
Rpim	0.042	0.579
Number of reflections	26575	1276
<I/σ(I)>	9.5
Completeness [%]	95.0
Redundancy	4.8
CC(1/2)		0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	291	0.2 M HEPES, pH 7.0, 60-90 mM sodium chloride, 15-20% PEG2000 MME