4XPH

X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) bound to 3,4dichlorophenethylamine

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	2014-02-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	97.968, 144.665, 165.666
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.106 - 2.900
R-factor	0.2422
Rwork	0.240
R-free	0.27700
RMSD bond length	0.004
RMSD bond angle	0.894
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.074	0.036
Total number of observations	203265
Number of reflections	52939
<I/σ(I)>	12.4
Completeness [%]	97.2	98.7	99.8
Redundancy	3.8	3.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		PEG 400, 33%; NaMES