6NLE

X-ray structure of LeuT with V269 deletion

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]	80
Detector technology	PIXEL
Collection date	2017-04-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000010
Spacegroup name	C 1 2 1
Unit cell lengths	149.540, 86.140, 81.530
Unit cell angles	90.00, 110.72, 90.00

Refinement procedure

Resolution	76.256 - 2.615
R-factor	0.2262
Rwork	0.224
R-free	0.25980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.457
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (dev_2597)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.256	76.256	2.680
High resolution limit [Å]	2.600	11.700	2.620
Rmerge	0.105	0.026	0.413
Rmeas	0.126	0.031	0.511
Number of reflections	51787	351	2042
<I/σ(I)>	8.8	32.37	1.89
Completeness [%]	96.9	97	95
Redundancy	3.011	3.228	2.544
CC(1/2)	0.995	0.999	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	10% PEG 3000, 100 mM sodium cacodylate trihydrate, pH 6.5, and 200 mM magnesium chloride hexahydrate