6RCK

Crystal structure of the OmpK36 GD insertion chimera from Klebsiella pneumonia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-14
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	232.458, 74.412, 90.112
Unit cell angles	90.00, 111.73, 90.00

Refinement procedure

Resolution	55.729 - 2.029
R-factor	0.2097
Rwork	0.208
R-free	0.24610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o79
RMSD bond length	0.007
RMSD bond angle	0.859
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.370	2.060
High resolution limit [Å]	2.029	2.029
Rmerge	0.147	0.811
Number of reflections	92398	4538
<I/σ(I)>	6.1
Completeness [%]	99.8
Redundancy	3.2
CC(1/2)	0.990	0.580

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