7Q3T

Crystal structure of the OmpK36 D 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	2020-02-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9686
Spacegroup name	P 1
Unit cell lengths	55.024, 73.606, 158.663
Unit cell angles	91.04, 97.26, 103.16

Refinement procedure

Resolution	78.600 - 1.788
R-factor	0.1869
Rwork	0.185
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rd3
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction software	autoPROC
Data scaling software	TRUNCATE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3 (19-MAR-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.600	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.154	1.296
Number of reflections	221416	10907
<I/σ(I)>	6	1
Completeness [%]	97.4	96.2
Redundancy	3.5
CC(1/2)	0.990	0.340

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1 M Lithium sulfate, 0.1 M Sodium citrate, and 10% PEG 4000 (pH 5.6)