4XPB

X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) bound to cocaine

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	2013-12-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	97.498, 139.963, 166.959
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.330 - 3.050
R-factor	0.246
Rwork	0.244
R-free	0.26900
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.160
High resolution limit [Å]	3.050	3.050
Rmerge	0.064	0.879
Number of reflections	41179
<I/σ(I)>	15.6
Completeness [%]	93.0	94.5
Redundancy	4.6	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	PEG 400 (38%), Tris-Bicine 0.1M