6HCB

STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM01 AT 1.9 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	97.436, 122.025, 47.623
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.718 - 1.900
R-factor	0.1703
Rwork	0.169
R-free	0.19180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o9a
RMSD bond length	0.005
RMSD bond angle	0.756
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.720	48.718	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.057	0.660
Rmeas	0.136	0.060	0.689
Rpim	0.037	0.018	0.194
Number of reflections	45663	1608	6551
<I/σ(I)>	10.8	8.8	1
Completeness [%]	100.0	99.8	100
Redundancy	13.3	12	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	279	15% PEG4000, 0.1 M ammonium sulphate, 0.1 M phosphate citrate