7DJ1

Crystal structure of the G26C 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	2020-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	81.853, 94.115, 94.248
Unit cell angles	90.00, 95.93, 90.00

Refinement procedure

Resolution	46.872 - 3.528
R-factor	0.2486
Rwork	0.247
R-free	0.27150
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]	47.058	47.058	3.589
High resolution limit [Å]	3.528	9.551	3.528
Rmerge	0.145	0.033	0.758
Rmeas	0.172	0.040	0.893
Rpim	0.092	0.022	0.467
Total number of observations		2791	3151
Number of reflections	17501	891	891
<I/σ(I)>	6.6	22	1.8
Completeness [%]	98.8	97.2	98.7
Redundancy	3.4	3.1	3.5
CC(1/2)	0.996	0.999	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.2 M choline chloride, 0.1 M Tris-HCI pH 7.5, 14% (w/v) PEG 2000 MME, 15% (v/v) glycerol and 1 mM L-Leu