7AWQ

Structure of the thermostabilized EAAT1 cryst-E386Q mutant in complex with L-ASP, sodium ions and the allosteric inhibitor UCPH101

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979300
Spacegroup name	P 63
Unit cell lengths	124.000, 124.000, 90.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.000 - 3.650
R-factor	0.235
Rwork	0.233
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5llm
RMSD bond length	0.009
RMSD bond angle	1.030
Data reduction software	XDS (Jan 31, 2020 Built=20200417)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.000	28.000	3.740
High resolution limit [Å]	3.650	16.320	3.650
Rmerge	0.144	0.082	4.710
Rmeas	0.149	0.085	4.885
Number of reflections	8923	107	644
<I/σ(I)>	8.5	31.24	0.57
Completeness [%]	99.9	95.5	100
Redundancy	16.925	14.43	14.421
CC(1/2)	0.998	0.997	0.423

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	277	30% PEG400, 100 mM Tris pH 8.2, 50 mM Calcium chloride, 50 mM Barium chloride