9C8M

High-resolution structure of cytochrome c peroxidase from yeast under cryogenic conditions and ambient pressure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-03
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.96860
Spacegroup name	P 21 21 21
Unit cell lengths	44.605, 72.888, 100.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.340 - 1.780
R-factor	0.1751
Rwork	0.173
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.862
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]	41.340	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.106	0.909
Rmeas	0.109	0.936
Rpim	0.022	0.218
Number of reflections	31873	1516
<I/σ(I)>	58.18	3.65
Completeness [%]	99.5	97.74
Redundancy	26.4
CC(1/2)	1.000	0.910

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)