4O3C

Crystal structure of the GLUA2 ligand-binding domain in complex with L-aspartate at 1.50 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	63.997, 87.877, 47.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.640 - 1.500
R-factor	0.1286
Rwork	0.127
R-free	0.15820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	starting model 1M5C
RMSD bond length	0.008
RMSD bond angle	1.251
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.700	28.700	1.580
High resolution limit [Å]	1.500	4.740	1.500
Rmerge		0.032	0.380
Total number of observations		6640	29743
Number of reflections	43268
<I/σ(I)>	16	15.7	2
Completeness [%]	100.0	98.6	100
Redundancy	4.8	4.5	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	279	20% PEG 4000, 0.1 M lithium sulfate and 0.1 M phosphate-citrate., pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K