1M1Q

P222 oxidized structure of the tetraheme cytochrome c from Shewanella oneidensis MR1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	32.865, 48.139, 58.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 0.970
R-factor	0.135
Rwork	0.133
R-free	0.15110 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qjd
RMSD bond length	0.011 *
RMSD bond angle	2.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall
Low resolution limit [Å]	10.000
High resolution limit [Å]	0.970
Rmerge	0.073 *
Total number of observations	293545 *
Number of reflections	51982 *
Completeness [%]	94.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	21 *	ammonium sulphate, tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	3.5-3.8 (M)
2	1	reservoir	Bicine	0.1 (M)	pH8.5-9.2
3	1	drop	protein	30 (mg/ml)