6HC9

STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-L504Y-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM02 AT 2.4 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	2018-05-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.981
Spacegroup name	P 21 21 2
Unit cell lengths	97.656, 121.942, 47.442
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.225 - 2.400
R-factor	0.2097
Rwork	0.208
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ftj
RMSD bond length	0.002
RMSD bond angle	0.576
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	121.940	76.225	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.117	0.916
Rmeas	0.295	0.128	0.985
Rpim	0.107	0.050	0.359
Total number of observations	172168
Number of reflections	22932	834	3267
<I/σ(I)>	4.9	4.2	0.8
Completeness [%]	100.0	99.8	100
Redundancy	7.5	6.3	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	20% PEG4000, 0.3 M lithium sulfate, 0.1 M phosphate citrate