9I19

Iron loaded human H-chain 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	183.087, 183.087, 183.087
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.200 - 1.630
R-factor	0.1652
Rwork	0.164
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.816
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]	55.200	1.690
High resolution limit [Å]	1.630	1.630
Number of reflections	3051139	32092
<I/σ(I)>	29.19
Completeness [%]	96.2
Redundancy	132
CC(1/2)	0.999	0.452

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 chloride