7DJC

Crystal structure of the G26C/Q250A mutant of LeuT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	90.758, 87.606, 81.813
Unit cell angles	90.00, 94.35, 90.00

Refinement procedure

Resolution	31.508 - 2.701
R-factor	0.208
Rwork	0.206
R-free	0.24230
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]	43.803	43.803	2.747
High resolution limit [Å]	2.701	7.320	2.701
Rmerge	0.098	0.026	0.628
Rmeas	0.117	0.031	0.760
Rpim	0.063	0.017	0.424
Total number of observations	59165	2818	2764
Number of reflections	17479	890	886
<I/σ(I)>	8.1	21.6	1.5
Completeness [%]	99.0	96.8	97.9
Redundancy	3.4	3.2	3.1
CC(1/2)	0.996	0.999	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293.15	0.05 M Li2SO4, 0.1 M glycine pH 9.0 and 25% (v/v) PEG 400