9C8L

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-08-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	45.143, 74.384, 101.493
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.920 - 1.540
R-factor	0.1559
Rwork	0.155
R-free	0.17980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.101
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]	34.920	1.570
High resolution limit [Å]	1.540	1.540
Rmerge	0.092	0.747
Rmeas	0.100	0.832
Rpim	0.039	0.358
Number of reflections	50414	2323
<I/σ(I)>	20.81	0.88
Completeness [%]	98.1	91.85
Redundancy	3.2
CC(1/2)	0.987	0.601

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)