6O30

Lipid A transporter MsbA from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2013-02-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97945
Spacegroup name	P 21 21 2
Unit cell lengths	82.257, 153.200, 232.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.754 - 4.470
R-factor	0.3083
Rwork	0.307
R-free	0.33950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bl6
RMSD bond length	0.003
RMSD bond angle	0.779
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.800	4.810
High resolution limit [Å]	4.470	4.470
Rmerge	0.114	1.660
Rmeas	0.138	2.010
Rpim	0.077	1.110
Number of reflections	15470	683
<I/σ(I)>	10
Completeness [%]	85.0	75.8
Redundancy	2.8	2.9
CC(1/2)	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	MSBA PURIFIED IN DETERGENT MICELLES (UDM/FA231) IS MIXED 1: 1 WITH WELL SOLUTION (20 MM TRIS-HCL (PH 7.5) AND 27.5% PEG 300).