9WT8

Crystal structure of a multiheme cytochrome c selenoprotein (MccSep)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-18
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	83.030, 123.540, 116.520
Unit cell angles	90.00, 92.19, 90.00

Refinement procedure

Resolution	48.540 - 1.750
R-factor	0.1684
Rwork	0.167
R-free	0.19810
Structure solution method	SIRAS
RMSD bond length	0.009
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.540	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.063	0.981
Number of reflections	468298	46292
<I/σ(I)>	18.12
Completeness [%]	99.3	98.57
Redundancy	7.1
CC(1/2)	0.999	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M ammonium sulfate, 0.1M HEPES (pH 7.5), 10% PEG 4000