5EWJ

CRYSTAL STRUCTURE OF AMINO TERMINAL DOMAINS OF THE NMDA RECEPTOR SUBUNIT GLUN1 AND GLUN2B IN COMPLEX WITH IFENPRODIL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	268.460, 60.100, 145.000
Unit cell angles	90.00, 116.22, 90.00

Refinement procedure

Resolution	27.920 - 2.770
R-factor	0.1761
Rwork	0.174
R-free	0.21120
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3qel
RMSD bond length	0.010
RMSD bond angle	1.190
Data reduction software	XDS
Data scaling software	Aimless (0.3.5)
Phasing software	BUSTER
Refinement software	BUSTER-TNT (BUSTER 2.11.6)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	120.420	120.420	3.910
High resolution limit [Å]	2.770	3.910	2.770
Rmerge	0.056	0.028	0.146
Rpim	0.036	0.019	0.093
Total number of observations	177049	60283	116766
Number of reflections	53122
<I/σ(I)>	17	33.1	8.3
Completeness [%]	99.0	97.6	99.7
Redundancy	3.3	3.2	3.4
CC(1/2)	0.998	0.999	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	3.6M Na Formate, 0.1 M Hepes pH 7.0