4IO7

Crystal Structure of the AvGluR1 ligand binding domain complex with phenylalanine at 1.9 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000000
Spacegroup name	P 1 21 1
Unit cell lengths	55.499, 100.235, 56.757
Unit cell angles	90.00, 116.49, 90.00

Refinement procedure

Resolution	29.535 - 1.920
R-factor	0.1563
Rwork	0.155
R-free	0.18680
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4io2
RMSD bond length	0.011
RMSD bond angle	1.284
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	2.030	1.950
High resolution limit [Å]	1.920	1.990	1.920
Rmerge	0.065	0.430	0.700
Number of reflections	42897
<I/σ(I)>	19.8	3.6	2.6
Completeness [%]	100.0	100	100
Redundancy	3.8	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	15.5% PEG 3350, 0.05 M NaCitrate, 0.1 M, BisTris Propane 0.05 M Phenylalanine, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K