4XPG

X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) bound to beta-CFT or Win35428

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	97.110, 140.080, 167.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.390 - 3.210
R-factor	0.252
Rwork	0.251
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m48
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.300
High resolution limit [Å]	3.210	3.210
Rmerge	0.081	0.730
Rmeas	0.090	0.026
Total number of observations	156700
Number of reflections	32879	395
<I/σ(I)>	14.33	1.57
Completeness [%]	86.7	17.3
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8	277	PEG 400 38%, Bicine 0.1M