9KRD

CRYSTAL STRUCTURE OF REDUCED CYTOCHROME C6 FROM SYNECHOCOCCUS ELONGATUS PCC 7942

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	54.505, 73.873, 98.781
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.250 - 1.700
R-factor	0.1683
Rwork	0.167
R-free	0.18710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.894
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	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.049	0.237
Rpim	0.016	0.085
Number of reflections	43231	3670
<I/σ(I)>	29.2	7.2
Completeness [%]	96.9	83.2
Redundancy	10	8.4
CC(1/2)	0.999	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.1M Citric acid pH 4.0, 1.6M Ammonium sulfate