6R88

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	96.972, 98.239, 114.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.270 - 1.600
R-factor	0.1529
Rwork	0.151
R-free	0.18130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6r85
RMSD bond length	0.013
RMSD bond angle	1.813
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.380	49.380	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.078	0.038	0.844
Rmeas	0.085	0.042	0.947
Rpim	0.033	0.017	0.423
Number of reflections	144028	998	7055
<I/σ(I)>	12.9
Completeness [%]	100.0	99.2	100
Redundancy	6.5	5.8	4.9
CC(1/2)	0.999	0.998	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	100 mM sodium citrate tribasic pH 5.6, 2 M ammonium sulfate, 200 mM potassium sodium tartrate