9I1B

Iron loaded human H-chain ferritin 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	182.180, 182.180, 182.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.930 - 1.630
R-factor	0.1873
Rwork	0.186
R-free	0.21410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.087
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]	54.930	1.689
High resolution limit [Å]	1.630	1.630
Number of reflections	3012019	22137
<I/σ(I)>	36.09
Completeness [%]	98.0
Redundancy	93.6
CC(1/2)	1.000	0.423

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