6XWM

Mechanism of substrate release in neurotransmitter:sodium symporters: the structure of LeuT in an inward-facing occluded conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9999
Spacegroup name	P 1
Unit cell lengths	77.848, 83.985, 86.939
Unit cell angles	65.38, 89.77, 64.56

Refinement procedure

Resolution	45.046 - 2.600
R-factor	0.212
Rwork	0.211
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tt3
Data reduction software	XDS (VERSION Oct 15, 2015 BUILT=20151231)
Data scaling software	Aimless (0.5.8)
Phasing software	PHENIX (1.16_3549)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.620	46.620	2.680
High resolution limit [Å]	2.600	10.720	2.600
Rmerge	0.079	0.034	1.067
Rmeas	0.087	0.037	1.166
Rpim	0.034	0.014	0.465
Total number of observations	332230	4874	28109
Number of reflections	53681	760	4651
<I/σ(I)>	11.1	34.9	1.4
Completeness [%]	98.8	98.2	98.2
Redundancy	6.2	6.4	6
CC(1/2)	0.999	0.999	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	HEPES-NaOH, sodium formate, PEG 3350, glycerol