6RD3

Crystal structure of the wild type OmpK36 from Klebsiella pneumonia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	55.090, 316.090, 73.790
Unit cell angles	90.00, 102.86, 90.00

Refinement procedure

Resolution	53.197 - 1.980
R-factor	0.1957
Rwork	0.194
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o79
RMSD bond length	0.006
RMSD bond angle	0.834
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.200	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.023	0.134
Number of reflections	169857	8440
<I/σ(I)>	6.3
Completeness [%]	100.0
Redundancy	6.9
CC(1/2)	0.990	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Lithium sulfate, 0.1M sodium citrate pH 5.6 and 12% PEG4000