5DRQ

Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-12-23
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.542
Spacegroup name	P 21 21 21
Unit cell lengths	52.433, 74.001, 88.629
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.871 - 1.630
R-factor	0.1712
Rwork	0.170
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p3e
RMSD bond length	0.009
RMSD bond angle	1.163
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.630	4.370	1.630
Rmerge	0.054	0.040	0.403
Total number of observations	309789
Number of reflections	46824
<I/σ(I)>	19.8
Completeness [%]	99.7	99.2	99.6
Redundancy	6.6	6.7	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium acetate trihydrate, 2.4 - 2.6 M ammonium nitrate,