3U99

The experimental X-ray structure of the new diheme cytochrome type c from Shewanella baltica OS155 sb-DHC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-12-19
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	40.810, 42.970, 81.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.800 - 1.146
R-factor	0.1067
Rwork	0.107
R-free	0.15360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fw5
RMSD bond length	0.020
RMSD bond angle	0.040
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.970	2.450
High resolution limit [Å]	1.080	1.080
Rmerge	0.107
Number of reflections	58150
Completeness [%]	96.9	96.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	Tris pH 6.5, PEG3350, Ammonium Sulphate, Dithionite, VAPOR DIFFUSION, HANGING DROP, temperature 298K