7SEL

E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	74.446, 91.990, 110.655
Unit cell angles	90.00, 90.31, 90.00

Refinement procedure

Resolution	31.989 - 2.978
R-factor	0.2581
Rwork	0.256
R-free	0.28980
Structure solution method	MIR
RMSD bond length	0.004
RMSD bond angle	0.773
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2747: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.989	3.080
High resolution limit [Å]	2.978	2.980
Rpim	0.040	0.400
Number of reflections	25433	1092
<I/σ(I)>	10.8	1.5
Completeness [%]	94.3
Redundancy	3.4
CC(1/2)	0.990	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	292	200 MM NACL, 19% PEG 550 MME, 4% PEG400, 100 MM HEPES, PH7.0, VAPOR DIFFUSION