9KRC

CRYSTAL STRUCTURE OF OXIDIIZED CYTOCHROME C6 FROM SYNECHOCOCCUS ELONGATUS PCC 7942

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-08
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	50.424, 53.453, 65.939
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.520 - 1.400
R-factor	0.1456
Rwork	0.144
R-free	0.17030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.957
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.028	0.147
Rpim	0.020	0.104
Number of reflections	35713	3257
<I/σ(I)>	21.8	5.6
Completeness [%]	99.2	92.8
Redundancy	2	2
CC(1/2)	0.999	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.2M di-Ammonium tartrate, 2.2M Ammonium sulfate