6ODL

Crystal structure of GluN2A agonist binding domain with 4-butyl-(S)-CCG-IV

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	PIXEL
Collection date	2015-06-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 41
Unit cell lengths	52.094, 52.094, 197.804
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.026 - 2.300
R-factor	0.2294
Rwork	0.224
R-free	0.28270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a5s
RMSD bond length	0.003
RMSD bond angle	0.760
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.310
High resolution limit [Å]	2.270	2.270
Rmeas	0.125	0.482
Rpim	0.052	0.233
Number of reflections	22638	2296
<I/σ(I)>	12	2.75
Completeness [%]	94.2	98.2
Redundancy	4.9	3.9
CC(1/2)	0.997	0.596

Crystallization Conditions

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