4M48

X-ray structure of dopamine transporter elucidates antidepressant mechanism

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	2013-03-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	97.839, 133.684, 162.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.376 - 2.955
R-factor	0.2226
Rwork	0.221
R-free	0.25640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f3a
RMSD bond length	0.004
RMSD bond angle	0.824
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1402))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.224	3.070
High resolution limit [Å]	2.955	2.955
Rmerge	0.098	0.955
Number of reflections	42168
<I/σ(I)>	10.9	1.05
Completeness [%]	93.3	94.7
Redundancy	4.7	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	100 mM glycine, pH 9.0, 38% PEG350 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K