6M47

X-ray structure of a Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in tramadol bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	97.004, 140.956, 167.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.502 - 3.252
R-factor	0.2427
Rwork	0.241
R-free	0.27530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xnx
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.502	48.500	3.400
High resolution limit [Å]	3.250	11.260	3.250
Rmerge	0.165	0.023	1.390
Rmeas	0.180	0.026	1.502
Rpim	0.071	0.011	0.563
Total number of observations		5922	29933
Number of reflections	35898	953	4322
<I/σ(I)>	10.4	47.1	1.5
Completeness [%]	97.7	95.8	98
Redundancy	6.6	6.2	6.9
CC(1/2)	0.998	0.999	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1M MOPS, pH 7.0, 30% PEG600