6R89

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

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	97.661, 98.544, 114.154
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.400 - 2.500
R-factor	0.1901
Rwork	0.188
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6r85
RMSD bond length	0.007
RMSD bond angle	1.473
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.400	49.400	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.272	0.058	1.613
Rmeas	0.295	0.063	1.745
Rpim	0.113	0.025	0.662
Number of reflections	38874	939	4339
<I/σ(I)>	6
Completeness [%]	100.0	99.6	100
Redundancy	6.7	5.8	6.9
CC(1/2)	0.986	0.999	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	100 mM HEPES pH 7.5, sodium citrate tribasic 1.4 M