5CIH

Complex of yeast cytochrome c peroxidase (W191Y) 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	2014-05-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9778
Spacegroup name	P 1 21 1
Unit cell lengths	45.451, 114.219, 88.258
Unit cell angles	90.00, 104.32, 90.00

Refinement procedure

Resolution	35.359 - 2.600
R-factor	0.2289
Rwork	0.223
R-free	0.30960
RMSD bond length	0.003
RMSD bond angle	0.713
Data scaling software	HKL-2000
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.370
High resolution limit [Å]	2.330	6.320	2.330
Rmerge	0.135	0.060	0.566
Rmeas	0.157	0.071	0.750
Rpim	0.088	0.037	0.487
Total number of observations	88500
Number of reflections	28703
<I/σ(I)>	7.1
Completeness [%]	76.2	99.2	13
Redundancy	3.1	3.6	1.8
CC(1/2)		0.995	0.287

Crystallization Conditions

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