4ISA

Crystal Structure of the Escherichia coli LpxC/BB-78485 complex

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-01-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	106.788, 106.788, 52.474
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.984 - 1.800
R-factor	0.1846
Rwork	0.183
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.345
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.062	0.051	0.510
Number of reflections	31675
<I/σ(I)>	17.3
Completeness [%]	99.6	95.9	99.8
Redundancy	5.4	5.7	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1