1ANX

THE CRYSTAL STRUCTURE OF A NEW HIGH-CALCIUM FORM OF ANNEXIN V


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.3948.46

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 91.2α = 82.4
b = 91.3β = 82.4
c = 36.2γ = 118.2
Symmetry
Space GroupP 1

Diffraction

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

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION1.9122742590.198
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_orthonormal_tor35.165
p_staggered_tor21.54
p_planar_tor7.704
p_scangle_it5.927
p_scbond_it3.947
p_mcangle_it3.501
p_mcbond_it2.644
p_xhyhbond_nbd0.241
p_multtor_nbd0.221
p_singtor_nbd0.2
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor35.165
p_staggered_tor21.54
p_planar_tor7.704
p_scangle_it5.927
p_scbond_it3.947
p_mcangle_it3.501
p_mcbond_it2.644
p_xhyhbond_nbd0.241
p_multtor_nbd0.221
p_singtor_nbd0.2
p_chiral_restr0.067
p_planar_d0.062
p_angle_d0.05
p_bond_d0.015
p_plane_restr0.008
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms7548
Nucleic Acid Atoms
Solvent Atoms418
Heterogen Atoms27

Software

Software
Software NamePurpose
PROLSQrefinement