5CIB

Complex of yeast cytochrome c peroxidase (W191G) bound to 2,4-dimethylaniline 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	2010-05-23
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9778
Spacegroup name	P 1 21 1
Unit cell lengths	45.371, 107.461, 87.217
Unit cell angles	90.00, 104.49, 90.00

Refinement procedure

Resolution	39.298 - 3.011
R-factor	0.2424
Rwork	0.236
R-free	0.30390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.826
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.000
Number of reflections	15317
<I/σ(I)>	17.2
Completeness [%]	95.9
Redundancy	8.4

Crystallization Conditions

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