4MQY

Crystal Structure of the Escherichia coli LpxC/LPC-138 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 61
Unit cell lengths	107.515, 107.515, 53.603
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.419 - 2.005
R-factor	0.1841
Rwork	0.182
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.253
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.068	0.042	0.555
Number of reflections	23856
<I/σ(I)>	10.5
Completeness [%]	99.8	99.2	99.8
Redundancy	10.3	10.6	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1 M HEPES, pH 7.5, 1.5-1.7 M lithium sulfate, 16 mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 277K