3O1Y

Electron transfer complexes: Experimental mapping of the redox-dependent cytochrome c electrostatic surface

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-15
Detector	OXFORD ONYX CCD
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	79.695, 79.695, 89.247
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.010 - 1.750
R-factor	0.18863
Rwork	0.186
R-free	0.24761
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hrc
RMSD bond length	0.021
RMSD bond angle	1.742
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.010	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.116	0.430
Number of reflections	31828
<I/σ(I)>	9	2.5
Completeness [%]	95.3	95.1
Redundancy	2.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	300	High concentration of NaNO3 and 10% Ditionite in the wells, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 300K