9I1F

Iron loaded human mitochondrial ferritin D131N mutant 20 minute oxygen soak

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.975
Spacegroup name	F 4 3 2
Unit cell lengths	182.713, 182.713, 182.713
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.860 - 1.720
R-factor	0.1666
Rwork	0.165
R-free	0.18880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.958
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.860	1.782
High resolution limit [Å]	1.720	1.720
Number of reflections	3004611	2595
<I/σ(I)>	51.21
Completeness [%]	99.3
Redundancy	106.4
CC(1/2)	1.000	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	289	0.1 M Bicine 2 M Magnesium chloride 0.1 M Sodium chloride 60 mM Ferrous chloride 3 mM Sodium azide