5LLM

Structure of the thermostabilized EAAT1 cryst mutant in complex with L-ASP and the allosteric inhibitor UCPH101

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 63
Unit cell lengths	123.270, 123.270, 89.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.500 - 3.250
R-factor	0.2204
Rwork	0.219
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nwx
RMSD bond length	0.009
RMSD bond angle	1.060
Data reduction software	XDS (May 1, 2016 BUILT=20160517)
Data scaling software	XSCALE (May 1, 2016 BUILT=20160517)
Phasing software	PHASER (2.5.1)
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.890	3.340
High resolution limit [Å]	3.250	3.250
Rmerge	0.200	6.772
Rpim		1.333
Number of reflections	12338
<I/σ(I)>	11.7	0.7
Completeness [%]	100.0	100
Redundancy	27.1	26.9
CC(1/2)	0.990	0.220

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	277	28% PEG 400, 100 mM Tris pH 8.2, 50 mM Calcium chloride, 50 mM barium chloride