6M2R

X-ray structure of a functional Drosophila dopamine transporter in L-norepinephrine bound form

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	2019-09-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	96.800, 141.270, 167.711
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.400 - 2.802
R-factor	0.2126
Rwork	0.211
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xp1
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.410	48.410	2.880
High resolution limit [Å]	2.800	12.210	2.800
Rmerge	0.095	0.025	1.245
Rmeas	0.104	0.028	1.369
Rpim	0.042	0.013	0.561
Total number of observations	352537	3755	25174
Number of reflections	57216	765	4340
<I/σ(I)>	15.1	58.7	1.4
Completeness [%]	99.8	97.1	98.5
Redundancy	6.2	4.9	5.8
CC(1/2)	0.999	0.999	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	277	32% PEG 600, 0.1M MOPS pH6.8