5M2V

Structure of GluK1 ligand-binding domain (S1S2) in complex with (2S,4R)-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid at 3.18 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	2013-04-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	71.986, 71.986, 233.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.170 - 3.180
R-factor	0.2214
Rwork	0.219
R-free	0.27140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vso
RMSD bond length	0.002
RMSD bond angle	0.469
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.750	29.170	3.350
High resolution limit [Å]	3.180	10.060	3.180
Rmerge		0.069	0.406
Number of reflections	11055
<I/σ(I)>	10.2	5.9	1.9
Completeness [%]	99.8	94.2	100
Redundancy	6.5	5.2	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	280	15.2% PEG4000, 0.3 M lithium sulfate, 0.1 M cacodylate buffer pH 6.5