6P83

E.coli LpxD in complex with compound 1o

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	2014-04-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.977408
Spacegroup name	P 32 2 1
Unit cell lengths	97.722, 97.722, 215.999
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	84.630 - 1.700
R-factor	0.1656
Rwork	0.164
R-free	0.19010
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]	84.630	84.630	1.730
High resolution limit [Å]	1.700	9.310	1.700
Rmerge	0.073	0.022	1.891
Rmeas	0.078	0.024	2.010
Rpim	0.027	0.009	0.677
Total number of observations	1071901	6821	34563
Number of reflections	123682	925	3998
<I/σ(I)>	15.9	53.8	1.1
Completeness [%]	94.1	99.5	62
Redundancy	8.7	7.4	8.6
CC(1/2)	0.999	0.999	0.501

Crystallization Conditions

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