5I59

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12
Spacegroup name	P 21 21 21
Unit cell lengths	53.951, 86.729, 123.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.020 - 2.250
R-factor	0.198
Rwork	0.194
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i57
RMSD bond length	0.009
RMSD bond angle	1.175
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.020	2.180
High resolution limit [Å]	2.110	2.110
Number of reflections	32477
<I/σ(I)>	6.58
Completeness [%]	95.3	89.6
Redundancy	3.5	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M ammonium sulfate and 16-22% PEG 4000