4LEP

Structural insights into substrate recognition in proton dependent oligopeptide transporters

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	84.240, 107.730, 205.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.860 - 3.200
R-factor	0.2773
Rwork	0.275
R-free	0.32480
Structure solution method	SIRAS
RMSD bond length	0.012
RMSD bond angle	1.337
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.860	3.280
High resolution limit [Å]	3.200	3.200
Rmerge		1.221
Number of reflections	24514
<I/σ(I)>		1.7
Completeness [%]	77.5	15.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.5	293.15	40% PEG 300, 0.1 M phosphate citrate, 0.12 M ZnCl2, 3% trimethylamine N-oxide dehydrate pH 11, VAPOR DIFFUSION, temperature 293.15K