5C73

ATP-driven lipid-linked oligosaccharide flippase PglK in outward-occluded conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	298
Detector technology	PIXEL
Collection date	2014-12-13
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	200.030, 200.030, 693.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.938 - 5.900
R-factor	0.286
Rwork	0.284
R-free	0.31710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c78
RMSD bond length	0.005
RMSD bond angle	0.861
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000		5.800
High resolution limit [Å]	5.900	24.610	5.650
Rmerge	0.197	0.047	2.200
Rmeas	0.201	0.049	2.245
Total number of observations	1600808
Number of reflections	32005	424	646
<I/σ(I)>	12.97	50.22	1.74
Completeness [%]	84.6	43.4	10.3
Redundancy	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	Na/K phosphate; NaCl; Ammonium sulfate; ADP; MgCl2