1UTG

REFINEMENT OF THE C2221 CRYSTAL FORM OF OXIDIZED UTEROGLOBIN AT 1.34 ANGSTROMS RESOLUTION


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
1.9837.97

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 50.86α = 90
b = 52.22β = 90
c = 47.28γ = 90
Symmetry
Space GroupC 2 2 21

Diffraction

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

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 DIFFRACTION1.340.23
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_planar_tor5.1
p_singtor_nbd0.279
p_chiral_restr0.204
p_xhyhbond_nbd0.177
p_multtor_nbd0.13
p_angle_d0.041
p_bond_d0.013
p_plane_restr0.008
p_angle_deg
p_planar_d
RMS Deviations
KeyRefinement Restraint Deviation
p_planar_tor5.1
p_singtor_nbd0.279
p_chiral_restr0.204
p_xhyhbond_nbd0.177
p_multtor_nbd0.13
p_angle_d0.041
p_bond_d0.013
p_plane_restr0.008
p_angle_deg
p_planar_d
p_hb_or_metal_coord
p_mcbond_it
p_mcangle_it
p_scbond_it
p_scangle_it
p_xyhbond_nbd
p_staggered_tor
p_orthonormal_tor
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms548
Nucleic Acid Atoms
Solvent Atoms83
Heterogen Atoms

Software

Software
Software NamePurpose
PROLSQrefinement