2GO3

Crystal structure of Aquifex aeolicus LpxC complexed with imidazole.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	200
Detector technology	CCD
Collection date	2003-08-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97930
Spacegroup name	P 61
Unit cell lengths	101.234, 101.234, 122.162
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.000
Rwork	0.195
R-free	0.23530
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.081	0.319
Number of reflections	47936
<I/σ(I)>	21.4	3.9
Completeness [%]	99.8	99.7
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	294	100 mM HEPES (pH 8.0), 180 mM NaCl, 10% PEG 3350, and 5 mM ZnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 294K