8DZL

Structure of the K39Q mutant of rat somatic Cytochrome c at 1.36A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12713
Spacegroup name	P 21 21 21
Unit cell lengths	33.578, 61.153, 186.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.100 - 1.360
R-factor	0.1431
Rwork	0.141
R-free	0.17960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c0z
RMSD bond length	0.016
RMSD bond angle	1.466
Data reduction software	AutoProcess
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.100	1.430
High resolution limit [Å]	1.360	1.360
Rmerge	0.088	0.797
Rmeas	0.092	0.831
Rpim	0.026	0.233
Number of reflections	83554	12815
<I/σ(I)>	13	2.4
Completeness [%]	99.9	99.9
Redundancy	12.1	12.5
CC(1/2)	0.999	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	Wizard Cryo 2#30: 40% PEG 600, 100mM Sodium Citrate pH 5.5