2H36

Structure of ORF14 from Sulfolobus Islandicus Filamentous Virus (SIFV)


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP5.329318-26% (w/v) polyethylene glycol 4000, 0.5M MgCl2, 33mM HEPES, 0.2M imidazole malate pH 5.2-5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 5.3
Crystal Properties
Matthews coefficientSolvent content
3.2962.59

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 68.099α = 90
b = 68.099β = 90
c = 132.433γ = 120
Symmetry
Space GroupP 64 2 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMAR CCD 165 mm2006-05-04MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE BM160.9798ESRFBM16

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
12.952399.30.070.077553.44170
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)
12.953.1199.40.3860.3861755

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONSADTHROUGHOUT2.9522.074170374040698.740.233530.227110.29442RANDOM27.377
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]
5.142.575.14-7.71
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg40.231
r_dihedral_angle_3_deg20.723
r_dihedral_angle_1_deg7.984
r_dihedral_angle_4_deg7.07
r_scangle_it1.451
r_angle_refined_deg1.428
r_scbond_it0.863
r_mcangle_it0.716
r_mcbond_it0.4
r_nbtor_refined0.315
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg40.231
r_dihedral_angle_3_deg20.723
r_dihedral_angle_1_deg7.984
r_dihedral_angle_4_deg7.07
r_scangle_it1.451
r_angle_refined_deg1.428
r_scbond_it0.863
r_mcangle_it0.716
r_mcbond_it0.4
r_nbtor_refined0.315
r_nbd_refined0.218
r_symmetry_vdw_refined0.177
r_symmetry_hbond_refined0.164
r_xyhbond_nbd_refined0.143
r_chiral_restr0.098
r_bond_refined_d0.01
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 Atoms918
Nucleic Acid Atoms
Solvent Atoms5
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MAR345data collection
MOSFLMdata reduction
SOLVEphasing