6M0F

X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) in substrate-free form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.968
Spacegroup name	P 21 21 21
Unit cell lengths	97.978, 133.472, 162.088
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.989 - 3.300
R-factor	0.2433
Rwork	0.241
R-free	0.27730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xnx
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.990	48.990	3.480
High resolution limit [Å]	3.299	10.430	3.300
Rmerge	0.117	0.036	1.557
Rmeas	0.129	0.040	1.729
Rpim	0.054	0.018	0.737
Total number of observations		5578	24848
Number of reflections	32667	1130	4644
<I/σ(I)>	9.7	33.4	1
Completeness [%]	99.7	97.5	98.8
Redundancy	5.5	4.9	5.4
CC(1/2)	0.998	0.999	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1M MOPS, pH 7.0, 30% PEG 600