6P41

Yeast cytochrome c peroxidase (W191Y:L232E) 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	2017-06-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97920
Spacegroup name	P 1 21 1
Unit cell lengths	45.803, 112.070, 88.327
Unit cell angles	90.00, 104.64, 90.00

Refinement procedure

Resolution	44.317 - 2.900
R-factor	0.2409
Rwork	0.237
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cih
RMSD bond length	0.002
RMSD bond angle	0.542
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	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.175	0.079	1.174
Rmeas	0.191	0.087	1.341
Rpim	0.076	0.035	0.625
Total number of observations	109662
Number of reflections	18648	992	737
<I/σ(I)>	3.9
Completeness [%]	96.2	98.9	76.6
Redundancy	5.9	6.4	3.5
CC(1/2)		0.992	0.562

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%