8FT4

Multicrystal structure of Na+, leucine-bound LeuT determined at 5 keV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	2.479
Spacegroup name	C 1 2 1
Unit cell lengths	87.110, 86.383, 80.730
Unit cell angles	90.00, 95.53, 90.00

Refinement procedure

Resolution	39.790 - 4.000
R-factor	0.1549
Rwork	0.153
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gjd
RMSD bond length	0.004
RMSD bond angle	0.661
Data reduction software	DIALS (v1-1545)
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.790	4.144
High resolution limit [Å]	4.000	4.001
Number of reflections	10240	1028
<I/σ(I)>	26.6
Completeness [%]	99.7
Redundancy	116
CC(1/2)	0.997	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES, pH 7.0, 100 mM sodium chloride, 20-25% PEG550 MME