3F3D

Crystal structure of LeuT bound to L-Methionine and sodium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-23
Detector	ADSC QUANTUM 315
Wavelength(s)	1.7712
Spacegroup name	C 1 2 1
Unit cell lengths	88.333, 86.636, 81.166
Unit cell angles	90.00, 95.57, 90.00

Refinement procedure

Resolution	43.960 - 2.300
R-factor	0.19862
Rwork	0.197
R-free	0.22419
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a65
RMSD bond length	0.007
RMSD bond angle	0.970
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.510	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.321
Number of reflections	23640
<I/σ(I)>	22.2	1.6
Completeness [%]	87.7	53.4
Redundancy	6.3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1M HEPES, 0.2M NaCl, 17-22% PEG-MME 550, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K