6E7T

Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9100
Spacegroup name	C 1 2 1
Unit cell lengths	268.594, 59.835, 146.015
Unit cell angles	90.00, 116.86, 90.00

Refinement procedure

Resolution	25.000 - 2.310
R-factor	0.1953
Rwork	0.194
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qel
RMSD bond length	0.001
RMSD bond angle	0.363
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.350
High resolution limit [Å]	2.310	6.270	2.310
Rmerge	0.092	0.037	0.606
Rmeas	0.107	0.042	0.770
Rpim	0.054	0.020	0.467
Total number of observations	299032
Number of reflections	83106	4763	2150
<I/σ(I)>	7.7
Completeness [%]	91.0	99.4	48.1
Redundancy	3.6	4.3	1.9
CC(1/2)		0.996	0.657

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