2ZXY

Crystal Structure of Cytochrome c555 from Aquifex aeolicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-27
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.7
Spacegroup name	C 1 2 1
Unit cell lengths	48.529, 32.993, 49.668
Unit cell angles	90.00, 115.05, 90.00

Refinement procedure

Resolution	15.920 - 1.150
R-factor	0.12899
Rwork	0.127
R-free	0.16386
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.930
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.190
High resolution limit [Å]	1.150	1.150
Rmerge	0.047
Number of reflections	25402
<I/σ(I)>		10.01
Completeness [%]	97.0	89.4
Redundancy	3.71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	39% PEG 4000, 0.8M ammonium acetate, 0.1M tri-sodium citrate dehydrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	39% PEG 4000, 0.8M ammonium acetate, 0.1M tri-sodium citrate dehydrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K