6HCC

STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM02 AT 1.6 A RESOLUTION.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.980
Spacegroup name	P 21 21 2
Unit cell lengths	97.979, 121.967, 47.395
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.738 - 1.617
R-factor	0.1561
Rwork	0.155
R-free	0.18220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ftj
RMSD bond length	0.005
RMSD bond angle	0.886
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.740	29.738	1.700
High resolution limit [Å]	1.617	5.110	1.620
Rmerge		0.045	0.634
Rmeas	0.104	0.048	0.680
Rpim	0.037	0.018	0.244
Total number of observations	548555	17946	78565
Number of reflections	72996	2546	10454
<I/σ(I)>	11	28	2.2
Completeness [%]	99.4	99.5	98.9
Redundancy	7.5	7	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	24% PEG4000, 0.3 M lithium sulfate, 0.1 M phosphate citrate