5UP9

Crystal Structure of Zn-bound Human Heavy-Chain ferritin variant 122H-delta C-star with para-xylenedihydroxamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	I 4
Unit cell lengths	149.883, 149.883, 162.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.400 - 2.450
R-factor	0.243
Rwork	0.241
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cmq
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.397	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.139	0.314
Number of reflections	64992	6201
<I/σ(I)>	8.1	2.2
Completeness [%]	99.1	95
Redundancy	5.6	3.3
CC(1/2)	0.993	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Reservoir: 500 uL total volume: 50 mM CHES (pH 8.5), 150 mM NaCl, 0.474 mM ZnCl2, 3% PEG 300 Sitting Drop: 7.6 uL reservoir, 2 uL of 12.5 uM ferritin, 2.4 uL of 5 mM p-H2xdh in 50 mM CHES (pH 9.5) with 150 mM NaCl