4IKZ

Crystal structure of peptide transporter POT (E310Q mutant) in complex with alafosfalin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-03
Detector	RAYONIX MX225HE
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	53.527, 94.083, 57.859
Unit cell angles	90.00, 112.65, 90.00

Refinement procedure

Resolution	29.290 - 2.400
R-factor	0.2408
Rwork	0.238
R-free	0.28770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.688
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.121	0.057	0.366
Number of reflections	18215
<I/σ(I)>	6.7
Completeness [%]	88.2	97.7	77.9
Redundancy	2.5	3.8	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	293	26% PEG 400, 100mM Tris-HCl, 300mM (NH4)2SO4, pH 8.0, lipidic cubic phase, temperature 293K