4W6V

Crystal structure of a peptide transporter from Yersinia enterocolitica at 3 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	90.656, 101.041, 104.175
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.298 - 3.018
R-factor	0.259
Rwork	0.257
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ikv
RMSD bond length	0.005
RMSD bond angle	0.889
Data reduction software	XDS
Data scaling software	XSCALE (VERSION January 10, 2014)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.298	46.296	2.850
High resolution limit [Å]	3.018	8.550	2.700
Rmerge		0.022	3.155
Rpim		0.011	1.352
Total number of observations		5362	23804
Number of reflections	19398
<I/σ(I)>	20	67.4	0.6
Completeness [%]	99.8	99	98
Redundancy	6.5	5.7	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.4	291	PEG 300, NaCl, Li2SO4, LiH2PO4