5CMQ

Crystal Structure of Zn-bound Human H-Ferritin variant 122H-delta C-star

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	2014-04-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	F 4 3 2
Unit cell lengths	180.210, 180.210, 180.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	104.040 - 1.935
R-factor	0.1426
Rwork	0.141
R-free	0.18020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cei
RMSD bond length	0.021
RMSD bond angle	1.851
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	104.044	31.857	2.040
High resolution limit [Å]	1.935	6.120	1.930
Rmerge		0.039	0.328
Rmeas	0.101
Rpim	0.027	0.011	0.090
Total number of observations	242003	8814	32906
Number of reflections	17713
<I/σ(I)>	19.2	33.9	7
Completeness [%]	91.7	99.1	84
Redundancy	13.7	12.3	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	25 mM Tris, 10 mM calcium chloride, 10 mM zinc chloride, 2% PEG 3350