8PP5

Unitary crystal structure of positively supercharged ferritin variant Ftn(pos)-m1 (Mg Formate condition)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	I 4
Unit cell lengths	126.898, 126.898, 187.468
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	105.086 - 2.000
Rwork	0.160
R-free	0.19250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.507
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	105.090	105.090	1.780
High resolution limit [Å]	1.750	9.610	1.750
Rmerge	0.174	0.058	3.671
Rmeas	0.193	0.064	4.335
Rpim	0.082	0.027	2.240
Number of reflections	145913	932	6557
<I/σ(I)>	8.3
Completeness [%]	98.9
Redundancy	10.5	11.1	6.4
CC(1/2)	0.997	0.997	0.184

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	reservoir: 0.19M Magnesium Formate Ftn(pos)-m1: 4 mg/mL in 50mM Tris pH 7.5 0.9 M NaCl 2microliter reservoir + 1microliter Ftn(pos)-m1 +1 microliterL 50mM Tris pH 7.5 0.3 M NaCl