9HI3

C-terminal domain of pectobacterial FusB in complex with spinach ferredoxin 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-05
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976
Spacegroup name	C 2 2 21
Unit cell lengths	66.678, 67.446, 85.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.420 - 1.700
R-factor	0.16146
Rwork	0.159
R-free	0.20536
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	2.013
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.420	1.730
High resolution limit [Å]	1.700	1.700
Rmeas	0.152	1.156
Number of reflections	21660	999
<I/σ(I)>	12.4	1.4
Completeness [%]	99.8
Redundancy	13.3
CC(1/2)	1.000	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.05M HEPES,0.05M MOPS pH 7.5, 2M divalent cations (0.005M Manganese(II) chloride, 0.005M Cobalt(II) chloride , 0.005M Nickel(II) chloride, 0.005M Zinc acetate), 0.1 M monosaccharides (0.2 M xylitol, 0.2 M D-fructose, 0.2 M D-sorbitol, 0.2 M myo-inositol, 0.2 M L-rhamnose monohydrate), 20% PEGMME550, 10% PEG 20k