5LM4

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.976
Spacegroup name	P 63
Unit cell lengths	123.110, 123.110, 89.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.800 - 3.100
R-factor	0.2188
Rwork	0.217
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nwx
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS (VERSION May 1, 2016 BUILT=20160517)
Data scaling software	XSCALE (VERSION 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]	45.820	3.680
High resolution limit [Å]	3.100	3.100
Rmerge	0.100	6.710
Number of reflections	14115
<I/σ(I)>	15.8	0.8
Completeness [%]	99.9	99.9
Redundancy	20.6	21.2
CC(1/2)		0.434

Crystallization Conditions

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