8BRK

Room temperature crystal structure of cytochrome c' from Thermus thermophilus

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	2022-04-13
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.7749
Spacegroup name	C 1 2 1
Unit cell lengths	81.535, 38.986, 41.525
Unit cell angles	90.00, 97.24, 90.00

Refinement procedure

Resolution	35.140 - 1.750
R-factor	0.16013
Rwork	0.158
R-free	0.19334
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ead
RMSD bond length	0.012
RMSD bond angle	2.229
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]	35.140	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.151	1.171
Rmeas	0.170	1.398
Rpim	0.076	0.740
Number of reflections	12429	490
<I/σ(I)>	9.9	0.9
Completeness [%]	93.9	74.7
Redundancy	4.4
CC(1/2)	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M HEPES pH 7, 0.2 M sodium chloride, 20% (w/v) PEG 6000