1C6O

CRYSTAL STRUCTURE OF OXIDIZED CYTOCHROME C6 FROM THE GREEN ALGAE SCENEDESMUS OBLIQUUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	291
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	49.560, 49.560, 152.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.2175 *
Rwork	0.213
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c6r
RMSD bond length	0.013
RMSD bond angle	21.180 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.066 *	0.342 *
Total number of observations	75095 *
Number of reflections	14441
<I/σ(I)>	6.7	2.2
Completeness [%]	98.7	92.4
Redundancy	5	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5		pH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	100 (mM)
2	1	reservoir	ammonium dihydrogenphosphate	2.0 (M)