4UVM

In meso crystal structure of the POT family transporter PepTSo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-23
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 41 21 2
Unit cell lengths	86.830, 86.830, 219.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.135 - 3.000
R-factor	0.2222
Rwork	0.220
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xut
RMSD bond length	0.003
RMSD bond angle	0.771
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.130	3.080
High resolution limit [Å]	3.000	3.000
Rmerge	0.080	0.830
Number of reflections	17156
<I/σ(I)>	13	1.9
Completeness [%]	97.5	98.2
Redundancy	4.9	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	4.5		20-23 %(V/V) PEG 400, 0.1 M SODIUM ACETATE PH 4.5-4.8, 0.08-0.12 M SODIUM CITRATE. CRYSTALS WERE GROWN BY THE LCP METHOD USING 7.8 MAG AS THE HOSTING LIPID.