4LMH

Crystal structure of the outer membrane decaheme cytochrome OmcA

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	2012-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	92.640, 245.380, 135.630
Unit cell angles	90.00, 97.89, 90.00

Refinement procedure

Resolution	50.970 - 2.700
R-factor	0.1948
Rwork	0.193
R-free	0.23040
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	0.889
Data reduction software	xia2
Data scaling software	XDS
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.140	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.091	0.377
Number of reflections	161304
<I/σ(I)>		3.1
Completeness [%]	100.0	98.4
Redundancy		2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.1 M Bis TRIS Propane, 0.1 M MgCl2, 15% PEG 20000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K