9BTS

Crystal structure of the bacterioferritin (Bfr) and ferritin (Ftn) heterooligomer complex from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-22
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	P 2 3
Unit cell lengths	173.028, 173.028, 173.028
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.720 - 1.850
R-factor	0.1677
Rwork	0.166
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.891
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5057)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.950	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.104	2.421
Rmeas	0.106	2.461
Rpim	0.019	0.439
Total number of observations	4450501	227173
Number of reflections	146272	7236
<I/σ(I)>	24.6	1.9
Completeness [%]	100.0
Redundancy	30.4	31.4
CC(1/2)	1.000	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Berkeley Screen E5: 1.2 M ammonium sulfate, 100 mM bis-tris pH 6.5, Bfr/Ftn at 12.5 mg/mL. Plate 12825 well E5 drop 1. Puck: PSL-0201, Cryo: 80% (w/v) crystallant and 20% (v/v) glycerol.