6BPP

E. coli MsbA in complex with LPS and inhibitor G092

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	256.286, 89.786, 72.509
Unit cell angles	90.00, 91.29, 90.00

Refinement procedure

Resolution	38.167 - 2.920
R-factor	0.2591
Rwork	0.258
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.792
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2747: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.200	2.970
High resolution limit [Å]	2.920	2.920
Rmerge	0.098	0.570
Number of reflections	32865	2137
<I/σ(I)>	10.81
Completeness [%]	92.3	78
Redundancy	3.9	2.6
CC(1/2)	0.996	0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	200 mM NaCl, 19% PEG 550 MME, 4% PEG 400, 100 mM HEPES, pH7.0