8ZH7

Crystal structure of N-terminal domain of N-methyl-D-aspartate receptor subunit NR1 in complex with patient-derived antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	90
Detector technology	PIXEL
Collection date	2019-02-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 31
Unit cell lengths	287.010, 287.010, 53.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.710 - 3.500
R-factor	0.18848
Rwork	0.186
R-free	0.22724
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.664
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	248.558	15.650	3.590
High resolution limit [Å]	3.500	11.070	3.500
Rmerge	0.268	0.098	2.794
Rmeas	0.271	0.099	2.833
Number of reflections	62589	1266	4752
<I/σ(I)>	16.03
Completeness [%]	100.0
Redundancy	42.3
CC(1/2)	0.998	0.998	0.482

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES or HEPES, pH6.5-7.5, and 6-8 %w/v PEG20000