6P89

E.coli LpxD in complex with compound 7

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	CCD
Collection date	2014-12-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	96.793, 96.793, 216.305
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.663 - 1.400
R-factor	0.1682
Rwork	0.167
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eh0
Data reduction software	XDS
Data scaling software	SCALA (0.7.2)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.660	54.660	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.064	0.020	1.624
Rmeas	0.068	0.021	1.724
Rpim	0.023	0.007	0.576
Total number of observations	2054596	12937	100943
Number of reflections	230549	1600	11327
<I/σ(I)>	17.7	66.2	1.3
Completeness [%]	100.0	99.4	100
Redundancy	8.9	8.1	8.9
CC(1/2)	1.000	1.000	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2M Mg formate, 20% PEG 3350