5IZE

Hantaan virus L protein cap-snatching endonuclease


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP7316Hepes 0.1 M pH7, 20% PEG 6K, 1 M LiCl2
Crystal Properties
Matthews coefficientSolvent content
2.4249.26

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 41.2α = 90
b = 76.15β = 103.97
c = 63.72γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS 6M2014-06-14MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONOTHER0.984ESRFID23-1

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
11.74897.80.06711.993.0241154
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)
11.71.751.03

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 DIFFRACTIONSADFREE R-VALUE1.74839163199198.530.168210.16590.21595RANDOM31.509
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]
0.40.01-0.03-0.34
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg42.565
r_sphericity_free26.215
r_dihedral_angle_4_deg19.147
r_dihedral_angle_3_deg13.605
r_sphericity_bonded9.355
r_dihedral_angle_1_deg5.844
r_long_range_B_refined4.33
r_long_range_B_other3.948
r_scangle_other3.639
r_rigid_bond_restr3.587
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg42.565
r_sphericity_free26.215
r_dihedral_angle_4_deg19.147
r_dihedral_angle_3_deg13.605
r_sphericity_bonded9.355
r_dihedral_angle_1_deg5.844
r_long_range_B_refined4.33
r_long_range_B_other3.948
r_scangle_other3.639
r_rigid_bond_restr3.587
r_scbond_it3.139
r_scbond_other3.138
r_mcangle_it3.011
r_mcangle_other3.01
r_mcbond_it2.439
r_mcbond_other2.424
r_angle_refined_deg1.365
r_angle_other_deg1.089
r_chiral_restr0.083
r_bond_refined_d0.009
r_gen_planes_refined0.006
r_bond_other_d0.003
r_gen_planes_other0.003
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_scangle_it
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2812
Nucleic Acid Atoms
Solvent Atoms270
Heterogen Atoms3

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XSCALEdata scaling
SHELXDphasing