9QQI

Mini-bacterioferritin from Candidatus Methanoperedens species BLZ2 untreated control of a redox cycling experiment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97930
Spacegroup name	P 21 3
Unit cell lengths	122.662, 122.662, 122.662
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.790 - 1.680
R-factor	0.1631
Rwork	0.162
R-free	0.18110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.869
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.735	1.705
High resolution limit [Å]	1.677	1.677
Rmerge	0.206	3.719
Rmeas	0.214	3.865
Rpim	0.058	1.048
Number of reflections	69454	3470
<I/σ(I)>	8.8	0.8
Completeness [%]	98.6	100
Redundancy	13.4	13.5
CC(1/2)	0.996	0.323

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	Crystals were obtained on a Junior Clover plate (Jena Bioscience, Germany) using 100 uL crystallisation solution under an anaerobic atmosphere of 97:3% N2:H2. The crystallization reservoir contained 20% w/v Polyethylene glycol 3,350 and 200 mM tri-Potassium citrate. 1 ul of purified protein solution at 22 mg/mL in 25 mM Tris/HCl, 10% v/v glycerol and 2 mM dithiothreitol was mixed with 1 ul of the crystallization solution. The crystal was soaked in the crystallization solution supplemented with 20% v/v glycerol prior freezing in the anaerobic chamber.