4OZE

A.aolicus LpxC in complex with native product

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	140
Detector technology	PIXEL
Collection date	2013-07-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	101.332, 101.332, 123.553
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	87.760 - 1.610
R-factor	0.1628
Rwork	0.162
R-free	0.18530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2go4
RMSD bond length	0.010
RMSD bond angle	1.090
Phasing software	PHASER (0.1.29)
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	87.760	87.760	1.800
High resolution limit [Å]	1.610	3.600	1.610
Rmerge	0.073	0.039	0.738
Rpim		0.012	0.219
Total number of observations		101166	322867
Number of reflections	92692
<I/σ(I)>	21.2	62.8	3.3
Completeness [%]	100.0	100	100
Redundancy	12.4	12	12.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	Protein buffer: 25 mM Tris-HCl, pH 8.0, 0.15 M NaCl, 0.1 mM ZnSO4, 5% glycerol Well solution: 15% PEG 550 MME, 15% PEG 20K, 100 mM Morpheus buffer 1, 10% Morpheus alchohols. drop formed by 1:1 mix