6E7U

Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-31

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	268.620, 59.595, 145.914
Unit cell angles	90.00, 117.10, 90.00

Refinement procedure

Resolution	25.000 - 2.270
R-factor	0.2041
Rwork	0.202
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qel
RMSD bond length	0.005
RMSD bond angle	0.345
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	2.320
High resolution limit [Å]	2.262	6.180	2.270
Rmerge	0.068	0.021	1.091
Rmeas	0.081	0.024	1.315
Rpim	0.042	0.012	0.723
Number of reflections	92724	4834	4535
<I/σ(I)>	8.8
Completeness [%]	98.6	98	97.3
Redundancy	3.4	3.4	3
CC(1/2)		0.999	0.472

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