6E7V

Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-88

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	2016-11-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	C 1 2 1
Unit cell lengths	268.131, 59.612, 145.526
Unit cell angles	90.00, 116.86, 90.00

Refinement procedure

Resolution	25.000 - 2.600
R-factor	0.1929
Rwork	0.191
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qel
RMSD bond length	0.001
RMSD bond angle	0.346
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.640
High resolution limit [Å]	2.600	7.040	2.600
Rmerge	0.091	0.031	0.659
Rmeas	0.120	0.041	0.880
Rpim	0.078	0.027	0.579
Total number of observations	113979
Number of reflections	56531	3011	1999
<I/σ(I)>	5.8
Completeness [%]	88.6	89.5	63.8
Redundancy	2	2.1	1.6
CC(1/2)		0.996	0.624

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	3.0-3.5 M sodium formate, 0.1 M HEPES, 35 mM sodium chloride, 7 mM Tris-HCl, 50 uM Ifenprodil