5N8C

Crystal structure of Pseudomonas aeruginosa LpxC complexed with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	35.440, 95.310, 89.720
Unit cell angles	90.00, 96.34, 90.00

Refinement procedure

Resolution	44.590 - 1.900
R-factor	0.1519
Rwork	0.149
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ves
RMSD bond length	0.018
RMSD bond angle	1.969
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.590	44.590	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.050	0.435
Rmeas	0.126	0.057	0.496
Rpim	0.060	0.027	0.235
Number of reflections	46511
<I/σ(I)>	9.1	11.1	1.7
Completeness [%]	99.6	99.5	99.6
Redundancy	4.3	4.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	22% PEG3350, 0.1 M Imidazole, 0.1M CaCl2, 1mM ZnCl2