2IES

Crystal Structure of Aquifex aeolicus LpxC Complexed with Pyrophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	2006-06-26
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 61
Unit cell lengths	98.850, 98.850, 125.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 3.100
Rwork	0.230
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p42
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.134	0.134
Number of reflections	12560
<I/σ(I)>	5.7	2
Redundancy	2.65	2.65

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	100 mM HEPES (pH 7.5), 180 mM NaCl, 10% PEG 3350, 0.5 mM ZnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 294K