9I1E

Iron loaded human H-chain 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	183.656, 183.656, 183.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.930 - 1.760
R-factor	0.1599
Rwork	0.158
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.100
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]	64.930	1.823
High resolution limit [Å]	1.760	1.760
Number of reflections	2991726	81677
<I/σ(I)>	15.78
Completeness [%]	99.5
Redundancy	11.12
CC(1/2)	1.000	0.399

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