5W8N

Lipid A Disaccharide Synthase (LpxB)-6 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	2017-06-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97919
Spacegroup name	P 32 2 1
Unit cell lengths	67.784, 67.784, 154.503
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.570 - 2.020
R-factor	0.1885
Rwork	0.187
R-free	0.21290
Structure solution method	SAD
Data reduction software	XDS (November 1, 2017)
Data scaling software	Aimless (0.5.23)
Phasing software	PHENIX (v1.11.1_2575)
Refinement software	PHENIX (v1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.570	2.070
High resolution limit [Å]	2.020	2.020
Rmerge	0.112	1.686
Rpim	0.047	0.717
Number of reflections	27746	1958
<I/σ(I)>	14.2
Completeness [%]	99.6	97
Redundancy	6.5	6.1
CC(1/2)	0.997	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	292	40 % PEG 4000, 0.1 M Tris-HCl pH 8.6, 0.8 M LiCl combined 1:1 with 8 g/L protein in 0.3 M NaCl, 20 mM Tris-HCl pH 7.5, 5% glycerol, 5 mM DTT with 100 mM trimethylammonium chloride additive used at 10% of drop volume ie. 10 mM final concentration