9NYZ

Crystal structure of DCKA/glutamate-bound GluN1/GluN2A agonist binding domains with UCM-101

This is a non-PDB format compatible entry.

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	2023-12-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979338
Spacegroup name	P 21 21 21
Unit cell lengths	54.474, 88.329, 137.273
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.280 - 1.710
R-factor	0.1692
Rwork	0.168
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.127
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.280	1.770
High resolution limit [Å]	1.710	1.710
Number of reflections	71610	7030
<I/σ(I)>	8.14	0.93
Completeness [%]	99.4
Redundancy	6.4	6.6
CC(1/2)	0.997	0.376

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	ammonium acetate, PEG 4000