5K8K

Structure of the Haemophilus influenzae LpxH-lipid X complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	99.840, 99.840, 200.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	79.420 - 2.550
R-factor	0.195
Rwork	0.192
R-free	0.22700
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.617
Data reduction software	XDS (Oct 15, 2015)
Data scaling software	Aimless (0.1.27)
Phasing software	PHENIX (1.10.1-2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.420	2.620
High resolution limit [Å]	2.550	2.550
Rmerge	0.052	0.739
Number of reflections	12876
<I/σ(I)>	27.59	4.36
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	100 mM NaCl, 10 mM HEPES, 35 mM sodium acetate pH 4.1, 2.2% PEG 4000, 0.3 mM sulfonyl piperazine, 0.7% DMSO, 22% glycerol, and ~3-4 mM n-decyl-beta-D-thiomaltopyranoside.