5HU8

The crystal structure of hemagglutinin from A/Sichuan/26221/2014 (H5N6) influenza virus


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1MICROBATCH72930.1M Imidazole, pH7, 22.5% PolyPure PEG 0.3-10KDa
Crystal Properties
Matthews coefficientSolvent content
2.8657.01

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 89.505α = 90
b = 104.418β = 90
c = 215.692γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARMOSAIC 325 mm CCD2014-10-22MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 22-ID1.0APS22-ID

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (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
12.455010025.87.374754

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 DIFFRACTIONTHROUGHOUT2.4549.3970912376399.620.193030.191180.2274RANDOM58.397
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]
0.63-0.53-0.1
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg39.328
r_dihedral_angle_4_deg19.821
r_dihedral_angle_3_deg19.151
r_long_range_B_other10.544
r_long_range_B_refined10.503
r_scangle_other7.719
r_dihedral_angle_1_deg6.953
r_mcangle_other6.019
r_mcangle_it6.018
r_scbond_it4.995
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg39.328
r_dihedral_angle_4_deg19.821
r_dihedral_angle_3_deg19.151
r_long_range_B_other10.544
r_long_range_B_refined10.503
r_scangle_other7.719
r_dihedral_angle_1_deg6.953
r_mcangle_other6.019
r_mcangle_it6.018
r_scbond_it4.995
r_scbond_other4.995
r_mcbond_it3.945
r_mcbond_other3.942
r_angle_refined_deg1.713
r_angle_other_deg1.166
r_chiral_restr0.099
r_bond_refined_d0.014
r_gen_planes_refined0.008
r_bond_other_d0.006
r_gen_planes_other0.006
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
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms11598
Nucleic Acid Atoms
Solvent Atoms698
Heterogen Atoms228

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing