3P3E

Crystal Structure of the PSEUDOMONAS AERUGINOSA LpxC/LPC-009 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0001
Spacegroup name	P 21 21 21
Unit cell lengths	52.637, 73.608, 88.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.990 - 1.280
R-factor	0.182
Rwork	0.182
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.857
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.300
High resolution limit [Å]	1.280	3.470	1.280
Rmerge	0.115	0.102	0.456
Number of reflections	88611
<I/σ(I)>	9
Completeness [%]	99.7	98.6	94.9
Redundancy	5.9	5.7	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M sodium acetate trihydrate pH 5.0, and 2.7 M ammonium nitrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K