5HUF

The crystal structure of hemagglutinin from A/gyrfalcon/Washington/41088-6/2014 influenza virus


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1MICROBATCH2930.1M Sodium Citrate: Citric acid, pH 5.5, 20% PEG (w/v) 3000
Crystal Properties
Matthews coefficientSolvent content
3.1861.26

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 125.328α = 90
b = 252.385β = 90
c = 70.623γ = 90
Symmetry
Space GroupP 21 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARMOSAIC 225 mm CCD2015-06-06MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 22-BM1.0APS22-BM

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
12.815096.512.35.253667

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 DIFFRACTIONTHROUGHOUT2.8149.6650896272396.030.229430.227990.25627RANDOM63.14
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]
-1.721.93-0.21
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.712
r_dihedral_angle_3_deg21.665
r_dihedral_angle_4_deg21.252
r_long_range_B_refined9.799
r_long_range_B_other9.799
r_dihedral_angle_1_deg8.059
r_scangle_other6.666
r_mcangle_it5.897
r_mcangle_other5.897
r_scbond_it4.103
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.712
r_dihedral_angle_3_deg21.665
r_dihedral_angle_4_deg21.252
r_long_range_B_refined9.799
r_long_range_B_other9.799
r_dihedral_angle_1_deg8.059
r_scangle_other6.666
r_mcangle_it5.897
r_mcangle_other5.897
r_scbond_it4.103
r_scbond_other4.101
r_mcbond_it3.577
r_mcbond_other3.562
r_angle_refined_deg1.74
r_angle_other_deg0.995
r_chiral_restr0.096
r_bond_refined_d0.012
r_gen_planes_refined0.007
r_gen_planes_other0.005
r_bond_other_d0.004
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 Atoms11934
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms285

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
HKL-2000data scaling
PDB_EXTRACTdata extraction