5I56

Agonist-bound GluN1/GluN2A agonist binding domains with TCN201

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	54.259, 88.402, 126.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.030 - 2.280
R-factor	0.188
Rwork	0.184
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nf8
RMSD bond length	0.004
RMSD bond angle	0.844
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]	20.032	2.360
High resolution limit [Å]	2.278	2.280
Rmerge		0.490
Number of reflections	27522
<I/σ(I)>	10.42
Completeness [%]	96.7	91.8
Redundancy	4.7	4.2

Crystallization Conditions

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