3PS1

Crystal structure of the Escherichia Coli LPXC/LPC-011 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-04-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	107.130, 107.130, 52.087
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.194 - 1.850
R-factor	0.1935
Rwork	0.193
R-free	0.20960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.840
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	1.770
High resolution limit [Å]	1.740	4.720	1.740
Rmerge	0.044	0.033	0.690
Number of reflections	34924
<I/σ(I)>	22.7
Completeness [%]	99.2	97.7	99.2
Redundancy	4.4	4.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	0.1 M HEPES PH 7.5, 1.5-1.7 M LISO4 AND 10 MM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 290K