7WLW

X-ray structure of thermostabilized Drosophila dopamine transporter with GABA transporter1-like substitutions in the binding site, in complex with SKF89976a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	96.780, 141.755, 168.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.960 - 2.900
R-factor	0.2365
Rwork	0.235
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xnx
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]	47.290	47.290	2.990
High resolution limit [Å]	2.900	11.960	2.900
Rmerge	0.139	0.022	1.656
Rmeas	0.154	0.026	1.835
Rpim	0.066	0.012	0.782
Total number of observations	278702	3582	23455
Number of reflections	51978	814	4390
<I/σ(I)>	11.3	50.5	1
Completeness [%]	99.8	96.3	98.5
Redundancy	5.4	4.4	5.3
CC(1/2)	0.997	0.999	0.443

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	36% PEG 600, 0.1M MOPS pH6.5, 0.5mM SKF89976A