9C8O

High-resolution structure of cytochrome c peroxidase from yeast at ambient temperature and 1.5 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	2022-05-23
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.88560
Spacegroup name	P 21 21 21
Unit cell lengths	44.730, 74.050, 100.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.880 - 2.310
R-factor	0.1986
Rwork	0.193
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.478
Data scaling software	HKL-2000 (v722)
Phasing software	PHENIX (1.21_5207)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.880	2.370
High resolution limit [Å]	2.310	2.310
Rmerge	0.237	0.789
Rmeas	0.262	0.872
Rpim	0.107	0.363
Number of reflections	12171	881
<I/σ(I)>	6.7	1.8
Completeness [%]	79.6	75.82
Redundancy	5.2
CC(1/2)	0.961	0.750

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)