1M1P

P21 crystal structure of the tetraheme cytochrome c3 from Shewanella oneidensis MR1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	93.690, 34.005, 108.313
Unit cell angles	90.00, 110.49, 90.00

Refinement procedure

Resolution	15.000 * - 1.550
R-factor	0.1745
Rwork	0.173
R-free	0.22400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Identical protein in P212121 spacegroup
RMSD bond length	0.014
RMSD bond angle	2.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.064 *
Total number of observations	197538 *
Number of reflections	83876 *
Completeness [%]	92.1	90

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	21 *	ammonium sulphate, bicine, pH 9, 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)