1FHA

SOLVING THE STRUCTURE OF HUMAN H FERRITIN BY GENETICALLY ENGINEERING INTERMOLECULAR CRYSTAL CONTACTS


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
3.0960.23

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 184.8α = 90
b = 184.8β = 90
c = 184.8γ = 90
Symmetry
Space GroupF 4 3 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION2.40.205
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
RMS Deviations
KeyRefinement Restraint Deviation
p_singtor_nbd0.21
p_multtor_nbd0.196
p_xhyhbond_nbd0.136
p_planar_d0.047
p_chiral_restr0.038
p_angle_d0.036
p_bond_d0.02
p_plane_restr0.011
p_angle_deg
p_hb_or_metal_coord
RMS Deviations
KeyRefinement Restraint Deviation
p_singtor_nbd0.21
p_multtor_nbd0.196
p_xhyhbond_nbd0.136
p_planar_d0.047
p_chiral_restr0.038
p_angle_d0.036
p_bond_d0.02
p_plane_restr0.011
p_angle_deg
p_hb_or_metal_coord
p_mcbond_it
p_mcangle_it
p_scbond_it
p_scangle_it
p_xyhbond_nbd
p_planar_tor
p_staggered_tor
p_orthonormal_tor
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1338
Nucleic Acid Atoms
Solvent Atoms20
Heterogen Atoms3

Software

Software
Software NamePurpose
PROLSQrefinement