4HOD

Crystal structure of LeuT-E290S with bound Cl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-08
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9191
Spacegroup name	C 1 2 1
Unit cell lengths	87.580, 87.480, 80.860
Unit cell angles	90.00, 95.00, 90.00

Refinement procedure

Resolution	47.622 - 3.300
R-factor	0.1952
Rwork	0.190
R-free	0.25410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.861
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	3.400
High resolution limit [Å]	3.300	3.300
Number of reflections	9091
Completeness [%]	98.2	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	0.1-0.2M NaCl, 16-23% PEG 550 MME, 0.1 M Hepes, pH 7.0, 1mM Leu, VAPOR DIFFUSION, SITTING DROP, temperature 292K
1	VAPOR DIFFUSION, SITTING DROP	7	292	0.1-0.2M NaCl, 16-23% PEG 550 MME, 0.1 M Hepes, pH 7.0, 1mM Leu, VAPOR DIFFUSION, SITTING DROP, temperature 292K