6B89

E. coli LptB in complex with ADP and novobiocin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	190.319, 35.100, 63.050
Unit cell angles	90.00, 91.52, 90.00

Refinement procedure

Resolution	63.028 - 2.000
R-factor	0.1815
Rwork	0.179
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p32
RMSD bond length	0.007
RMSD bond angle	0.747
Data reduction software	Aimless
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.030	63.030	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.128	0.025	0.622
Rmeas	0.151	0.030	0.734
Rpim	0.080	0.017	0.385
Total number of observations	99157
Number of reflections	28485
<I/σ(I)>	8.7
Completeness [%]	99.4	99	99.2
Redundancy	3.5	3.3	3.5
CC(1/2)	0.994	0.999	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100mM MES pH = 6.5, 30% PEG4000