7CPI

His-Mediated Reversible Self-assembly of Ferritin Nanocage with Zn binding

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97892
Spacegroup name	I 4
Unit cell lengths	126.374, 126.374, 177.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.107 - 2.602
R-factor	0.1973
Rwork	0.194
R-free	0.27210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kh1
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.136	0.064	0.688
Rmeas	0.147	0.070	0.743
Rpim	0.056	0.027	0.281
Total number of observations	291156
Number of reflections	42516	2162	2125
<I/σ(I)>	4.5
Completeness [%]	100.0	99.9	100
Redundancy	6.8	6.7	7
CC(1/2)		0.996	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	1.26 M (NH4)2SO4, 100 mM Tris (pH =8.0)