9I1D

Iron loaded human mitochondrial ferritin D131N mutant 5 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	182.831, 182.831, 182.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.940 - 1.650
R-factor	0.1621
Rwork	0.161
R-free	0.18440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.123
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]	41.940	1.710
High resolution limit [Å]	1.650	1.650
Number of reflections	3020629	2646
<I/σ(I)>	32.57
Completeness [%]	97.1
Redundancy	96.8
CC(1/2)	1.000	0.456

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