5NHX

Periplasmic domain of Outer Membrane Protein A from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979470
Spacegroup name	P 43 2 2
Unit cell lengths	73.650, 73.650, 61.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.781 - 1.950
R-factor	0.1782
Rwork	0.176
R-free	0.19390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4erh
RMSD bond length	0.006
RMSD bond angle	0.908
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.781	39.781	2.000
High resolution limit [Å]	1.950	8.730	1.950
Rmerge	0.061	0.024	0.587
Rmeas	0.066	0.026	0.629
Number of reflections	12873	181	922
<I/σ(I)>	21.71	51.05	3.96
Completeness [%]	99.8	97.8	98.6
Redundancy	7.714	5.967	7.782
CC(1/2)	0.999	1.000	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	285	20% PEG6000 Citric acid