4TPJ

Selectivity mechanism of a bacterial homologue of the human drug peptide transporters PepT1 and PepT2

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	80
Detector technology	CCD
Collection date	2013-04-20
Detector	ADSC QUANTUM 1
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	78.990, 107.560, 203.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.558 - 3.201
R-factor	0.2458
Rwork	0.243
R-free	0.29040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lep
RMSD bond length	0.011
RMSD bond angle	1.425
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.560	3.280
High resolution limit [Å]	3.200	3.200
Number of reflections	25529
<I/σ(I)>	22.8	2.42
Completeness [%]	86.9	27.3
Redundancy	14.7
CC(1/2)		0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	0.1 M phosphate citrate pH 4.5, 46% PEG300, 0.12M ZnCl2