9QQH

Mini-bacterioferritin from Candidatus Methanoperedens species BLZ2 oxidized then chemically reduced

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	122.897, 122.897, 122.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.900 - 2.080
R-factor	0.1971
Rwork	0.196
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.822
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]	86.901	2.114
High resolution limit [Å]	2.078	2.078
Rmerge	0.174	1.295
Rmeas	0.186	1.601
Rpim	0.064	0.925
Number of reflections	37379	1806
<I/σ(I)>	7.1	0.7
Completeness [%]	99.7	98.1
Redundancy	7.7	2.7
CC(1/2)	0.994	0.374

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 exposed to air for 10 min, then soaked in the crystallization solution supplemented with 100 mM of freshly prepared sodium dithionite. Finally the crystal was soaked in the crystallization solution supplemented with 20% v/v glycerol and 90 mM sodium dithionite prior freezing.