9C8P

High-resolution structure of cytochrome c peroxidase from yeast at ambient temperature and 3.0 kbar

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-12-10
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.78470
Spacegroup name	P 21 21 21
Unit cell lengths	44.711, 74.253, 101.312
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.490 - 2.310
R-factor	0.2226
Rwork	0.217
R-free	0.27310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.526
Data scaling software	HKL-2000 (v722)
Phasing software	PHENIX (1.21_5207)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.490	2.370
High resolution limit [Å]	2.310	2.310
Rmerge	0.181	0.654
Rmeas	0.200	0.725
Rpim	0.082	0.298
Number of reflections	14623	1096
<I/σ(I)>	7.2	2
Completeness [%]	95.0	93.36
Redundancy	5.5
CC(1/2)	0.973	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10-25 % polyethylene glycol 550 (MME) and 100 mM 2-(N-morpholino)ethanesulfonic acid (pH 6.1-7.1)