5TP9

Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	56.260, 89.780, 120.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.670 - 2.400
R-factor	0.192
Rwork	0.190
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.081	0.722
Number of reflections	24941
<I/σ(I)>	19.1	2.7
Completeness [%]	100.0	100
Redundancy	5.9	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M HEPES, pH 7.0, 10-13% PEG8000, 2 mM calcium acetate