5EWL

CRYSTAL STRUCTURE OF AMINO TERMINAL DOMAINS OF THE NMDA RECEPTOR SUBUNIT GLUN1 AND GLUN2B IN COMPLEX WITH MK-22

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 PILATUS3 6M
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	268.880, 59.940, 144.450
Unit cell angles	90.00, 116.51, 90.00

Refinement procedure

Resolution	30.040 - 2.980
R-factor	0.1644
Rwork	0.162
R-free	0.21660
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3qel
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	XDS
Data scaling software	Aimless (0.3.5)
Phasing software	BUSTER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	120.310	120.310	4.210
High resolution limit [Å]	2.980	4.210	2.980
Rmerge	0.054	0.036	0.113
Rpim	0.038	0.024	0.086
Total number of observations	106198	46980	59218
Number of reflections	41141
<I/σ(I)>	14.3	26.1	7.5
Completeness [%]	96.2	97.9	95.2
Redundancy	2.6	3.1	2.3
CC(1/2)	0.998	0.999	0.985

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