4O3A

Crystal structure of the glua2 ligand-binding domain in complex with L-aspartate at 1.80 a resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-14
Detector	MAR CCD 165 mm
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	114.661, 162.211, 47.346
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.252 - 1.800
R-factor	0.1549
Rwork	0.153
R-free	0.18810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m5b
RMSD bond length	0.011
RMSD bond angle	1.298
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.252	29.252	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge		0.052	0.424
Total number of observations		14995	68282
Number of reflections	81356
<I/σ(I)>	12.5	10.3	1.8
Completeness [%]	98.3	92.6	99.5
Redundancy	5.9	5.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	279	24.4 % PEG 4000, 0.1 M zinc acetate and 0.1 M sodium acetate., pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K