8BRL

Room temperature crystal structure of cytochrome c' from Hydrogenophilus thermoluteolus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE VMXi
Synchrotron site	Diamond
Beamline	VMXi
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-04-14
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.7749
Spacegroup name	P 62 2 2
Unit cell lengths	83.536, 83.536, 88.566
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.090 - 1.880
R-factor	0.17918
Rwork	0.178
R-free	0.20314
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b3i
RMSD bond length	0.014
RMSD bond angle	2.320
Data reduction software	DIALS
Data scaling software	xia2.multiplex
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.090	1.910
High resolution limit [Å]	1.880	1.880
Rmerge	0.459	5.496
Rmeas	0.469	5.683
Rpim	0.093	1.401
Number of reflections	15440	750
<I/σ(I)>	7.9	0.6
Completeness [%]	100.0	100
Redundancy	22.3	15.4
CC(1/2)	0.995	0.258

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	30% PEG 8000, 0.2 M lithium sulfate, 0.1 M sodium acetate pH 4.5