2IER

Crystal Structure of Aquifex aeolicus LpxC Complexed with Uridine 5'-Diphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	200
Detector technology	CCD
Collection date	2006-07-21
Detector	ADSC QUANTUM 210
Wavelength(s)	1.283
Spacegroup name	P 61
Unit cell lengths	101.206, 101.206, 122.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.700
Rwork	0.213
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p42
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.128	0.333
Number of reflections	19510
<I/σ(I)>	11.7	4.2
Redundancy	6.3	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	100 mM HEPES (pH 8.0), 180 mM NaCl, 14% PEG 3350, 0.5 mM ZnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 298K