4U4F

Structure of GluA2* in complex with partial agonist (S)-5-Nitrowillardiine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0750
Spacegroup name	C 2 2 21
Unit cell lengths	141.374, 166.575, 566.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.950 - 4.790
R-factor	0.229
Rwork	0.228
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h5v 3kg2 3rtw
RMSD bond length	0.003
RMSD bond angle	0.708
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.970
High resolution limit [Å]	4.790	4.790
Rmerge	0.063	0.992
Number of reflections	30052
<I/σ(I)>	18.7	1.6
Completeness [%]	89.9	85.2
Redundancy	4.7	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	11-14% (w/v) PEG 3,000, 50 mM lithium sulfate, 0.1 M tricine