7WGT

X-ray structure of thermostabilized Drosophila dopamine transporter with GABA transporter1-like substitutions in the binding site, in complex with NO711.

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 EIGER2 X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	98.007, 135.025, 162.559
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.420 - 2.750
R-factor	0.2501
Rwork	0.248
R-free	0.29550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wgd
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.20rc4_4425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.420	47.420	2.830
High resolution limit [Å]	2.750	11.660	2.750
Rmerge	0.128	0.024	3.319
Rmeas	0.141	0.026	3.641
Rpim	0.058	0.012	1.479
Total number of observations	318635	4124	26428
Number of reflections	56669	831	4538
<I/σ(I)>	9.8	41.1	0.6
Completeness [%]	99.6	96.7	98.7
Redundancy	5.6	5	5.8
CC(1/2)	0.999	1.000	0.316

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	277	0.1M Tris Bicine pH8.2, 34% PEG 600, 0.5mM NO711