9MUM

Crystal structure of GluN1/GluN2A ligand-binding domain in complex with Compound 11, Glycine and Glutamate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-14
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	54.500, 90.000, 124.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.800 - 1.970
R-factor	0.1944
Rwork	0.192
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.842
Data reduction software	XDS (Mar 15, 2019 (BUILT 20191211))
Data scaling software	XSCALE (Mar 15, 2019 (BUILT 20191211))
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.800	2.010
High resolution limit [Å]	1.970	1.970
Rmerge	0.053	0.890
Rmeas	0.057	0.963
Rpim	0.022	0.367
Number of reflections	40128	2182
<I/σ(I)>	18.9	2.2
Completeness [%]	90.9	100
Redundancy	6.7	6.8
CC(1/2)	0.999	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1M Hepes pH 7.0, 0.2M ammonium acetate, 20% PEG-3350