4DYY

Crystal Structure of the Cu-adduct of Human H-Ferritin variant MIC1

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	2011-04-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.98
Spacegroup name	F 4 3 2
Unit cell lengths	179.594, 179.594, 179.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.800 - 1.900
R-factor	0.21935
Rwork	0.218
R-free	0.24072
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cei
RMSD bond length	0.007
RMSD bond angle	0.886
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]	103.689	89.797	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.045	0.492
Number of reflections	20095
<I/σ(I)>	22	14.2	1.4
Completeness [%]	99.8	94.6	100
Redundancy	27.1	23.2	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	50 mM Tris, 5 mM calcium chloride, 8% PEG 1900 MME, 700 micro M cupric chloride, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K