6DQR

Crystal structure of Haemophilus influenzae OppA complex with MGG

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	2018-04-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0781
Spacegroup name	P 21 21 21
Unit cell lengths	47.574, 92.192, 108.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.750 - 2.080
R-factor	0.1797
Rwork	0.177
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.483
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	Aimless (0.6.3)
Phasing software	BALBES (1.0.0)
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.750	2.140
High resolution limit [Å]	2.080	2.080
Rmerge	0.080	0.670
Number of reflections	29098
<I/σ(I)>	15.6	3.1
Completeness [%]	99.1	99.9
Redundancy	11.1	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1M sodium acetate pH 4.6, 2.5M ammonium sulfate