9MUL

Crystal structure of GluN1/GluN2A ligand-binding domain in complex with Compound 1, Glycine and Glutamate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-20
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.928, 90.013, 124.006
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.420 - 2.400
R-factor	0.1993
Rwork	0.197
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.460
Data reduction software	xia2 (0.5.893)
Data scaling software	xia2 (0.5.893)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.420	2.490
High resolution limit [Å]	2.400	2.400
Rpim	0.079	0.309
Number of reflections	23262	2048
<I/σ(I)>	8.04	2.28
Completeness [%]	94.2	85.26
Redundancy	3.3	3.4
CC(1/2)	0.986	0.724

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