8C7L

Serendipitous structure of OmpF contaminant in space group P21.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.953860
Spacegroup name	P 1 21 1
Unit cell lengths	104.811, 151.002, 109.658
Unit cell angles	90.00, 117.94, 90.00

Refinement procedure

Resolution	92.600 - 3.520
Rwork	0.234
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.760
Data reduction software	XDS (20190806)
Data scaling software	XDS (20190806)
Phasing software	SIMBAD (2020)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.600	92.600	3.720
High resolution limit [Å]	3.510	10.470	3.510
Rmeas	0.332	0.036	1.971
Number of reflections	37517	1438	5910
<I/σ(I)>	5.76	29.93	0.82
Completeness [%]	99.1	96.3	97.3
Redundancy	3.811	3.4986	3.7736
CC(1/2)	0.989	0.999	0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1mM NaCl, 0.1 MgCl2, 0.1 mM NaAcetate pH 4.5, 30% PEG400 copurified after refolding with 0.2 % lauryl sulfobetaine