7DJ2

Crystal structure of the G26C/E290S 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	82.327, 110.707, 87.135
Unit cell angles	90.00, 96.00, 90.00

Refinement procedure

Resolution	43.329 - 2.400
R-factor	0.213
Rwork	0.212
R-free	0.23820
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]	46.649	46.649	2.442
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.127	0.049	0.698
Rmeas	0.151	0.058	0.842
Rpim	0.080	0.032	0.466
Total number of observations	208585	10253	9476
Number of reflections	60625	3087	2987
<I/σ(I)>	6.8	18.4	1.6
Completeness [%]	99.7	98.7	99.7
Redundancy	3.4	3.3	3.2
CC(1/2)	0.993	0.996	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	0.1 M Mg2+-formate dihydrate, 0.1 M Na+-MOPS pH 7.0, 17% (w/v) PEG 3350 and 15% (v/v) glycerol