7WGD

X-ray structure of thermostabilized Drosophila dopamine transporter with GABA transporter1-like substitutions in the binding site, in substrate-free form.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	96.388, 140.709, 168.021
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.430 - 3.200
R-factor	0.2456
Rwork	0.244
R-free	0.28640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xnu
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (v1.20rc4-4425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.430	48.430	3.340
High resolution limit [Å]	3.200	11.070	3.200
Rmerge	0.717	0.053	5.547
Rmeas	0.753	0.056	5.763
Rpim	0.219	0.016	1.547
Total number of observations	497543	12486	62714
Number of reflections	38565	1035	4599
<I/σ(I)>	9.1	33.1	1.2
Completeness [%]	99.8	98.3	98.8
Redundancy	12.9	12.1	13.6
CC(1/2)	0.914	0.999	0.428

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	277	0.1M MOPS pH 7.2, 36% PEG 600