7DII

Crystal structure of LeuT in lipidic cubic phase at pH 7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 1
Unit cell lengths	64.588, 72.184, 80.806
Unit cell angles	100.89, 97.58, 115.16

Refinement procedure

Resolution	32.097 - 2.403
R-factor	0.193
Rwork	0.192
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a65
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.060	36.060	2.444
High resolution limit [Å]	2.403	6.509	2.403
Rmerge	0.070	0.031	0.439
Rmeas	0.083	0.036	0.541
Rpim	0.044	0.019	0.310
Total number of observations	164247	8233	6806
Number of reflections	47577	2374	2362
<I/σ(I)>	10.6	26.8	2.2
Completeness [%]	96.9	97.1	96.3
Redundancy	3.5	3.5	2.9
CC(1/2)	0.996	0.996	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293.15	0.1 M NaCl, 0.1 M Na+-HEPES pH 7.0, 32% (v/v) PEG 350 MME and 1 mM L-Leu