6L56

Fe(II) loaded Tegillarca granosa ferritin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97892
Spacegroup name	P 2 2 2
Unit cell lengths	181.900, 182.000, 182.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.119 - 1.853
R-factor	0.166751590386
Rwork	0.165
R-free	0.19577
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rcd
RMSD bond length	0.006
RMSD bond angle	0.732
Data reduction software	xia2
Data scaling software	HKL-3000
Phasing software	BALBES
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.145	0.718
Rmeas	0.158	0.798
Rpim	0.062	0.340
Number of reflections	505323	24901
<I/σ(I)>	11.429	1.833
Completeness [%]	99.7	98.9
Redundancy	6.2	6.2
CC(1/2)	0.986	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.1M sodium cacodylate trihydrate pH 6.5, 30% v/v (+/-)-2-Methyl-2,4-pentanediol