6RCP

Crystal structure of the OmpK36 clinical isolate ST258 from Klebsiella pneumonia

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	2018-09-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97
Spacegroup name	P 21 21 2
Unit cell lengths	286.035, 326.105, 164.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.514 - 3.231
R-factor	0.2197
Rwork	0.218
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o79
RMSD bond length	0.003
RMSD bond angle	0.648
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	286.030	3.570
High resolution limit [Å]	3.230	3.230
Rmerge	0.199	1.110
Number of reflections	127179	6359
<I/σ(I)>	6.6
Completeness [%]	86.4
Redundancy	4.6
CC(1/2)	0.990	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M NaCl, 0.1 M LiSO4, 0.1 mM Tris HCl pH 8.5 and 30 % PEG400