8GTH

Crystal strucuture of cyt c551 from anoxygenic phototrophic bacterium Roseiflexus castenholzii

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	2021-11-03
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97991
Spacegroup name	P 41 21 2
Unit cell lengths	71.630, 71.630, 349.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.430 - 3.100
Rwork	0.242
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.604
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.430	3.211
High resolution limit [Å]	3.100	3.100
Number of reflections	17547	1693
<I/σ(I)>	8.1
Completeness [%]	99.8
Redundancy	22.9
CC(1/2)	0.994	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	1.5 M Lithium sulfate monohydrate 0.1 M BIS-TRIS propane pH 7.0