5CIF

Complex of yeast cytochrome c peroxidase (W191F) with iso-1 cytochrome c

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-04
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9778
Spacegroup name	P 1 21 1
Unit cell lengths	44.797, 113.842, 88.239
Unit cell angles	90.00, 105.31, 90.00

Refinement procedure

Resolution	43.432 - 2.010
R-factor	0.2177
Rwork	0.216
R-free	0.26750
Data scaling software	HKL-2000
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.222	0.251	0.488
Total number of observations	173068
Number of reflections	51828
<I/σ(I)>	14.9
Completeness [%]	92.2	91.9	90.7
Redundancy	3.3	3.3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PEG 3350 15-15%, 100 mM NaAcetate, 175 mM NaCl