6DTF

Crystal structure of Haemophilus influenzae OppA complex with KKK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0782
Spacegroup name	P 21 21 21
Unit cell lengths	47.800, 92.332, 108.362
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.730 - 1.750
R-factor	0.1776
Rwork	0.175
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.317
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	Aimless (0.6.2)
Phasing software	BALBES (1.0.0)
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.730	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.055	0.525
Number of reflections	48105
<I/σ(I)>	16.5	2.7
Completeness [%]	97.9	93.8
Redundancy	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1M sodium acetate pH 4.6, 2.2M ammonium sulfate