6R85

Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-glutamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	35.886, 61.280, 64.103
Unit cell angles	75.19, 75.53, 90.02

Refinement procedure

Resolution	59.000 - 2.000
R-factor	0.2093
Rwork	0.207
R-free	0.26180
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.483
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	CRANK2
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.000	59.110	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.115	0.052	0.488
Rmeas	0.138	0.063	0.584
Rpim	0.076	0.035	0.318
Number of reflections	33332	366	2402
<I/σ(I)>	4.9
Completeness [%]	96.7	97.1	94.7
Redundancy	3.2	3.4	3.2
CC(1/2)	0.990	0.992	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	100 mM sodium acetate pH 4.6, 240 mM ammonium sulfate, 30%(w/v) PEG monomethyl ether 2,000.