4DZ0

Crystal structure of the Cu-adduct of human H-Ferritin variant MIC1 labeled with a dansyl fluorophore

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.98
Spacegroup name	F 4 3 2
Unit cell lengths	180.434, 180.434, 180.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.840 - 2.500
R-factor	0.22945
Rwork	0.224
R-free	0.29992
RMSD bond length	0.007
RMSD bond angle	0.953
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	104.173	90.217	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge		0.037	0.405
Total number of observations		5836	27034
Number of reflections	9200
<I/σ(I)>	26.8	15.9	1.9
Completeness [%]	100.0	99.3	100
Redundancy	20.3	16.3	20.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	50 mM Tris, 5 mM calcium chloride, 50 mM sodium chloride, 10% PEG 3350, 350 M cupric chloride, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K