6P42

Yeast cytochrome c peroxidase (W191Y:L232H) in complex with iso-1 cytochrome c

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97920
Spacegroup name	P 1 21 1
Unit cell lengths	45.926, 111.918, 88.747
Unit cell angles	90.00, 105.63, 90.00

Refinement procedure

Resolution	46.817 - 2.905
R-factor	0.2179
Rwork	0.212
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cih
Data scaling software	HKL-2000
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.164	0.067	0.685
Rmeas	0.178	0.073	0.799
Rpim	0.070	0.029	0.395
Total number of observations	107326
Number of reflections	17844	983	536
<I/σ(I)>	2.6
Completeness [%]	93.3	99.5	56.4
Redundancy	6	6.8	2.9
CC(1/2)		0.995	0.682

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 18%-20%, L-proline