6P43

Yeast cytochrome c peroxidase in complex with iso-1 cytochrome c (Y48K)

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	2013-12-03
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97700
Spacegroup name	P 1
Unit cell lengths	45.208, 50.890, 86.429
Unit cell angles	105.64, 95.02, 107.31

Refinement procedure

Resolution	23.261 - 1.913
R-factor	0.1927
Rwork	0.191
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	HKL-2000
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.076	0.036	0.592
Rmeas	0.108	0.051	0.838
Rpim	0.076	0.036	0.592
Total number of observations	70369
Number of reflections	43668	1858	2246
<I/σ(I)>	14.4
Completeness [%]	81.7	69.7	82.4
Redundancy	1.6	1.8	1.6
CC(1/2)		0.992	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM sodium acetate, 175 mM NaCl, 5 mM n-octyl-B-D-glucoside, polyethylene glycol 3350 14%-20%