3PS3

Crystal structure of the Escherichia Coli LPXC/LPC-053 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	2010-06-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	107.745, 107.745, 53.509
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.936 - 2.100
R-factor	0.1976
Rwork	0.195
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.870
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.063	0.046	0.532
Number of reflections	20826
<I/σ(I)>	17.5
Completeness [%]	99.8	99.2	100
Redundancy	8.4	8.7	8

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