4TPH

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	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
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	80.650, 107.680, 204.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.543 - 3.155
R-factor	0.2537
Rwork	0.251
R-free	0.30730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lep
RMSD bond length	0.013
RMSD bond angle	1.794
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.540	3.240
High resolution limit [Å]	3.160	3.160
Number of reflections	24515
<I/σ(I)>	14.06
Completeness [%]	77.5
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		273	0.1 M phosphate citrate pH 4.0, 36% PEG300, 0.12 M ZnCl2