7LQJ

Crystal structure of LeuT bound to L-Alanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	88.484, 86.866, 81.145
Unit cell angles	90.00, 96.09, 90.00

Refinement procedure

Resolution	43.992 - 2.144
R-factor	0.1682
Rwork	0.167
R-free	0.19660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f3e
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.992	2.210
High resolution limit [Å]	2.140	2.140
Number of reflections	33365	2552
<I/σ(I)>	14.9
Completeness [%]	99.4
Redundancy	7.1
CC(1/2)	0.990	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	100 mM Hepes/NaOH pH 7.0, 200 mM NaCl, 20-22% PEG 550 MME