7CK9

Crystal structure of Doxorubicin loaded human ferritin heavy chain

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	2018-12-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97905
Spacegroup name	F 4 3 2
Unit cell lengths	183.207, 183.207, 183.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.939 - 1.602
R-factor	0.1502
Rwork	0.149
R-free	0.16850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n27
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.076	0.060	0.302
Rmeas	0.078	0.062	0.308
Rpim	0.016	0.013	0.061
Number of reflections	35135	3812	3445
<I/σ(I)>	11.9	47.64	11.46
Completeness [%]	100.0	100	100
Redundancy	24.9	23.5	25.5
CC(1/2)	1.000	0.997	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Bicine, pH 9.0, 1.7 - 2 M MgCl2