5W8S

Lipid A Disaccharide Synthase (LpxB)-7 solubilizing mutations

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	CCD
Collection date	2015-07-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	68.016, 68.016, 155.139
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.070 - 2.100
R-factor	0.1973
Rwork	0.195
R-free	0.22260
Structure solution method	SAD
Data reduction software	XDS (June 17, 2015)
Data scaling software	Aimless (0.1.27)
Phasing software	PHENIX (v1.10_2155)
Refinement software	PHENIX (v1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	155.140	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.066	0.997
Rpim	0.041	0.615
Number of reflections	24865	2012
<I/σ(I)>	13.5	1.6
Completeness [%]	99.4	99.9
Redundancy	3.5	3.6
CC(1/2)	0.998	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	292	39% PEG 4000, 0.1 M Tris-HCl pH 8.6, 0.7 M LiCl mixed 1:1 with 8 g/L protein in 0.3 M NaCl, 5% glycerol, 20 mM Tris-HCl pH 7.4, 5 mM DTT with 100 mM trimethylammonium chloride additive used at 10 mM or 10% of drop volume