9QQ5

Mini-bacterioferritin from Candidatus Methanoperedens species BLZ2 in a partially oxidized state

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	122.752, 122.752, 122.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.820 - 1.540
R-factor	0.1663
Rwork	0.166
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.890
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]	86.799	1.563
High resolution limit [Å]	1.537	1.537
Rmerge	0.158	1.851
Rmeas	0.166	2.034
Rpim	0.051	0.830
Number of reflections	91535	4547
<I/σ(I)>	7.5	0.7
Completeness [%]	100.0	100
Redundancy	10.2	5.8
CC(1/2)	0.997	0.371

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) under an anaerobic atmosphere of 97:3% N2:H2. The crystallization reservoir (100 ul) 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, and was then soaked in the crystallization solution supplemented with 20% v/v glycerol prior freezing.