4RY8

Crystal structure of 5-methylthioribose transporter solute binding protein TLET_1677 from Thermotoga lettingae TMO TARGET EFI-511109 in complex with 5-methylthioribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-22
Detector	RAYONIX MX225HE
Spacegroup name	P 1
Unit cell lengths	57.622, 67.848, 83.653
Unit cell angles	91.83, 92.39, 89.93

Refinement procedure

Resolution	50.000 - 1.750
R-factor	0.21593
Rwork	0.214
R-free	0.26356
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.601
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.137	0.710
Number of reflections	128230
<I/σ(I)>	10	2.1
Completeness [%]	97.1	94.9
Redundancy	3.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	PROTEIN (10 MM HEPES PH 7.5, 5 MM DTT); RESERVOIR: 0.1 M HEPES-NAOH, PH 7.5, 0.2 M MAGNESIUM CHLORIDE, 30% PPG P400; CRYOPROTECTION: RESERVOIR SOLUTION; VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K;