5FJL

Crystal structure of raptor adenovirus 1 fibre head, wild-type form


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1920 MM BICINE-NAOH PH 9.0, 50 MM MAGNESIUM CHLORIDE, 5 MM L-ARGININE, 5% (V/V) GLYCEROL, 1.5 M SODIUM CHLORIDE, 10% (V/V) ETHANOL
Crystal Properties
Matthews coefficientSolvent content
2.551

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 81.72α = 90
b = 81.72β = 90
c = 81.72γ = 90
Symmetry
Space GroupP 21 3

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS 6MVERTICAL FOCUSING MIRROR AND HORIZONTAL FOCUSING MIRROR ORTHOGONAL IN A KIRKPATRICK-BAEZ CONFIGURATION2013-10-17MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONALBA BEAMLINE XALOCALBAXALOC

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
11.4747.21000.0429.69.93136517.7
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
11.471.491000.63.28.8

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 3ZPE1.474529748158699.980.15790.156820.17862RANDOM24.629
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
r_dihedral_angle_2_deg31.812
r_dihedral_angle_4_deg24.864
r_dihedral_angle_3_deg10.229
r_dihedral_angle_1_deg7.121
r_scangle_it4.312
r_scbond_it2.789
r_mcangle_it2.479
r_angle_refined_deg1.661
r_mcbond_it1.611
r_mcbond_other1.584
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg31.812
r_dihedral_angle_4_deg24.864
r_dihedral_angle_3_deg10.229
r_dihedral_angle_1_deg7.121
r_scangle_it4.312
r_scbond_it2.789
r_mcangle_it2.479
r_angle_refined_deg1.661
r_mcbond_it1.611
r_mcbond_other1.584
r_angle_other_deg0.928
r_symmetry_vdw_refined0.245
r_nbd_refined0.204
r_symmetry_vdw_other0.171
r_nbtor_refined0.17
r_nbd_other0.156
r_xyhbond_nbd_refined0.125
r_chiral_restr0.104
r_nbtor_other0.073
r_symmetry_hbond_refined0.068
r_bond_refined_d0.013
r_gen_planes_refined0.007
r_bond_other_d0.002
r_gen_planes_other0.001
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcangle_other
r_scbond_other
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1069
Nucleic Acid Atoms
Solvent Atoms174
Heterogen Atoms4

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
Aimlessdata scaling
PHASERphasing