3P3C

Crystal Structure of the Aquifex aeolicus LpxC/LPC-009 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0001
Spacegroup name	P 61
Unit cell lengths	65.604, 65.604, 132.263
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.101 - 1.250
R-factor	0.1526
Rwork	0.152
R-free	0.16060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.938
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.270
High resolution limit [Å]	1.250	3.390	1.250
Rmerge	0.121	0.104	0.471
Number of reflections	88659
<I/σ(I)>	7
Completeness [%]	100.0	99.6	100
Redundancy	7.5	7.6	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris pH 8.5, and 2.5 M ammonium phosphate dibasic, VAPOR DIFFUSION, SITTING DROP, temperature 293K