6K7C

Dimeric Shewanella violacea cytochrome c5

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	2019-02-01
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	34.772, 52.542, 80.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.910 - 1.150
R-factor	0.13924
Rwork	0.138
R-free	0.15703
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b6q
RMSD bond length	0.012
RMSD bond angle	2.451
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.930	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.031	0.323
Number of reflections	51052	2160
<I/σ(I)>	26.1	4.2
Completeness [%]	96.7	83.5
Redundancy	6.5	4.6
CC(1/2)	0.999	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG 3350 and 200 mM potassium nitrate