6E7R

Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-4

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	267.953, 59.898, 145.286
Unit cell angles	90.00, 116.69, 90.00

Refinement procedure

Resolution	25.000 - 2.100
R-factor	0.1902
Rwork	0.189
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qel
RMSD bond length	0.006
RMSD bond angle	0.375
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	2.140
High resolution limit [Å]	2.100	5.690	2.100
Rmerge	0.048	0.018	1.039
Rmeas	0.055	0.021	1.224
Rpim	0.027	0.010	0.632
Total number of observations	473976
Number of reflections	119094	6170	5833
<I/σ(I)>	10.4
Completeness [%]	98.8	97.9	96.8
Redundancy	4	4	3.2
CC(1/2)		0.999	0.585

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