5JTY

Glutamate- and DCKA-bound GluN1/GluN2A agonist binding domains with MPX-007

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	54.569, 89.684, 130.415
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.973 - 2.720
R-factor	0.2296
Rwork	0.224
R-free	0.27820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i57
RMSD bond length	0.002
RMSD bond angle	0.488
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.973	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.170	0.500
Number of reflections	15868
<I/σ(I)>	6.7	1.2
Completeness [%]	89.7	76.7
Redundancy	2.7	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M AMMONIUM SULFATE AND 16-22% PEG 4000