3FBL

Crystal structure of ORF132 of the archaeal virus Acidianus Filamentous Virus 1 (AFV1)


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP629312% PEG 8000, 0.025 mM Na2HPO4/KH2PO4, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Crystal Properties
Matthews coefficientSolvent content
2.2144.34

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 28.353α = 90
b = 47.576β = 90
c = 60.079γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATEMAR scanner 345 mm plate2008-01-07MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODEBRUKER AXS MICROSTAR1.54

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)R Sym 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
11.9525.61000.0370.037136.676634911.2
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
1.952.061000.0660.0668976902

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (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 DIFFRACTIONSADTHROUGHOUT1.951855127951000.162030.156990.19619RANDOM9.592
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]
0.09-0.190.11
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.362
r_dihedral_angle_4_deg13.138
r_dihedral_angle_3_deg12.077
r_dihedral_angle_1_deg3.726
r_scangle_it3.711
r_scbond_it2.354
r_mcangle_it1.245
r_angle_refined_deg1.066
r_mcbond_it1.02
r_nbtor_refined0.302
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.362
r_dihedral_angle_4_deg13.138
r_dihedral_angle_3_deg12.077
r_dihedral_angle_1_deg3.726
r_scangle_it3.711
r_scbond_it2.354
r_mcangle_it1.245
r_angle_refined_deg1.066
r_mcbond_it1.02
r_nbtor_refined0.302
r_symmetry_vdw_refined0.265
r_symmetry_hbond_refined0.217
r_nbd_refined0.212
r_xyhbond_nbd_refined0.153
r_chiral_restr0.077
r_bond_refined_d0.013
r_gen_planes_refined0.004
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms657
Nucleic Acid Atoms
Solvent Atoms106
Heterogen Atoms1

Software

Software
Software NamePurpose
PHENIXmodel building
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
PHENIXphasing