6M3Z

X-ray structure of a Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in milnacipran bound 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	2019-07-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	96.997, 141.599, 168.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.550 - 3.110
R-factor	0.2242
Rwork	0.222
R-free	0.26350
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 (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.552	48.550	3.220
High resolution limit [Å]	3.106	11.620	3.110
Rmerge	0.166	0.041	1.595
Rmeas	0.185	0.047	1.762
Rpim	0.079	0.022	0.740
Total number of observations		4079	24126
Number of reflections	42441	903	4378
<I/σ(I)>	6.5	28.9	1
Completeness [%]	99.7	96.9	99
Redundancy	5.4	4.5	5.5
CC(1/2)	0.996	0.997	0.437

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1M MOPS pH 7.0, 32 PEG 600