6M0Z

X-ray structure of Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in L-norepinephrine 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)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	97.292, 142.801, 168.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.610 - 2.880
R-factor	0.2147
Rwork	0.213
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xp1
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]	48.650	48.650	2.960
High resolution limit [Å]	2.876	12.200	2.880
Rmerge	0.106	0.036	2.424
Rmeas	0.114	0.039	2.609
Rpim	0.041	0.015	0.952
Total number of observations		4742	31970
Number of reflections	54014	768	4363
<I/σ(I)>	12.7	44.3	0.9
Completeness [%]	99.9	95.6	100
Redundancy	7.4	6.2	7.3
CC(1/2)	0.999	0.999	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1M MOPS pH7.0, 32% PEG 600