5CIC

Complex of yeast cytochrome c peroxidase (W191G) bound to 3-aminobenzotrifluoride 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	2011-05-23
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9778
Spacegroup name	P 1 21 1
Unit cell lengths	45.257, 117.531, 88.446
Unit cell angles	90.00, 104.37, 90.00

Refinement procedure

Resolution	42.839 - 2.103
R-factor	0.1938
Rwork	0.192
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.917
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Number of reflections	51366
<I/σ(I)>	14.2
Completeness [%]	98.7
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	PEG 3350 15-15%, 100 mM NaAcetate, 175 mM NaCl