4DYX

Crystal Structure of the Cu-adduct of Human H-Ferritin variant 4His-delta C-star

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	2012-01-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.98
Spacegroup name	F 4 3 2
Unit cell lengths	179.268, 179.268, 179.268
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.780 - 1.850
R-factor	0.1709
Rwork	0.169
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cei
RMSD bond length	0.006
RMSD bond angle	0.842
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]	103.500	51.750	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge		0.035	0.215
Total number of observations		10287	47462
Number of reflections	21660
<I/σ(I)>	32.2	17	3.2
Completeness [%]	100.0	99.7	100
Redundancy	15.2	12.7	15.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	50 mM Tris, 5 mM calcium chloride, 200 microM cupric chloride , pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K