6P84

E.coli LpxD in complex with compound 2o

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	96.584, 96.584, 216.361
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.421 - 1.700
R-factor	0.1707
Rwork	0.169
R-free	0.19610
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]	78.020	78.020	1.730
High resolution limit [Å]	1.700	9.310	1.700
Rmerge	0.115	0.043	1.226
Rmeas	0.123	0.046	1.320
Rpim	0.041	0.015	0.472
Total number of observations	958641	7782	33306
Number of reflections	113613	916	4692
<I/σ(I)>	10.9	31.3	1.3
Completeness [%]	88.1	99.8	74
Redundancy	8.4	8.5	7.1
CC(1/2)	0.998	0.999	0.533

Crystallization Conditions

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