8QXP

Crystal structure of the outer membrane porin OmpW from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 2
Unit cell lengths	87.928, 138.636, 52.968
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.970 - 3.200
R-factor	0.2686
Rwork	0.267
R-free	0.31170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.622
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.970	3.315
High resolution limit [Å]	3.200	3.200
Number of reflections	5639	560
<I/σ(I)>	64
Completeness [%]	99.8
Redundancy	12.7
CC(1/2)	0.855	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	0.35 M lithium sulphate, 0.1 M sodium acetate pH 4.0, 11% PEG 600