6BPL

E. coli MsbA in complex with LPS and inhibitor G907

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	P 1 21 1
Unit cell lengths	74.747, 91.606, 111.013
Unit cell angles	90.00, 89.39, 90.00

Refinement procedure

Resolution	39.900 - 2.908
R-factor	0.2357
Rwork	0.233
R-free	0.28290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.666
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]	39.900	3.002
High resolution limit [Å]	2.908	2.908
Rmerge	0.097	0.530
Number of reflections	29686	1528
<I/σ(I)>	11.97
Completeness [%]	91.1	61
Redundancy	4	2.4
CC(1/2)	0.995	0.576

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