6DQQ

Crystal structure of Haemophilus influenzae OppA complex with endogenous peptide

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	2017-06-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0782
Spacegroup name	P 21 21 21
Unit cell lengths	49.990, 90.898, 108.778
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.670 - 1.850
R-factor	0.1553
Rwork	0.153
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.398
Data reduction software	XDS (Jun 1, 2017)
Data scaling software	Aimless (0.7.1)
Phasing software	BALBES (1.0.0)
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.670	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.079	0.556
Rmeas	0.082	0.577
Rpim	0.022	0.154
Total number of observations	572217
Number of reflections	42868	2595
<I/σ(I)>	18.6
Completeness [%]	99.4	99.5
Redundancy	13.3	13.8
CC(1/2)	0.999	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1M sodium acetate pH 4.6 and 2.4M ammonium sulfate