6EBU

Crystal structure of Aquifex aeolicus LpxE

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	2016-03-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	80.030, 80.196, 80.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.320 - 2.372
R-factor	0.2095
Rwork	0.208
R-free	0.23050
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.478
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.320	2.457
High resolution limit [Å]	2.372	2.372
Rmeas	0.095	1.142
Number of reflections	10720
<I/σ(I)>	14.03
Completeness [%]	99.2
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	12.5 mM Tris, 75 mM NaCl, 1 mM tris(2-carboxyethyl)phosphine (TCEP), 0.4% beta-OG, 45 mM HEPES, 22.5 mM Li2SO4, 4.5% glycerol, 17.1% PEG600, 0.095 mM CYMAL-7.