6HCH

STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-L504Y-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM01 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	2017-06-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.980
Spacegroup name	P 21 21 2
Unit cell lengths	114.630, 163.580, 47.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.240 - 1.600
R-factor	0.1561
Rwork	0.155
R-free	0.17830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ftj
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.240	49.240	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge		0.063	0.850
Rmeas	0.104	0.066	0.883
Rpim	0.028	0.019	0.239
Total number of observations	1579323
Number of reflections	118901	4113	17175
<I/σ(I)>	13.6	7.7	0.9
Completeness [%]	100.0	99.9	100
Redundancy	13.3	12.6	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	279	15% PEG4000, 0.1 M zinc acetate, 0.1 M sodium acetate