4XP6

X-ray structure of Drosophila dopamine transporter bound to psychostimulant methamphetamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	97.040, 141.370, 165.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.450 - 3.100
R-factor	0.2368
Rwork	0.236
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m48
RMSD bond length	0.002
RMSD bond angle	0.599
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.450		3.180
High resolution limit [Å]	3.100	13.860	3.100
Rmerge	0.102	0.035	1.600
Rmeas	0.111	0.039	1.782
Total number of observations	234177
Number of reflections	41149	466	2988
<I/σ(I)>	10.14	26.82	0.9
Completeness [%]	97.7	85.7	97.6

Crystallization Conditions

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