4D00

Haemagglutinin of H10N8 Influenza Virus Isolated from Humans in Complex with Human Receptor Analogue 6'SLN


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
110% PEG 6000, 5% MPD AND 0.1 M HEPES PH 7.5
Crystal Properties
Matthews coefficientSolvent content
4.0269

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 90.601α = 90
b = 183.169β = 90
c = 192.145γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100RIGAKU R-AXIS IVMSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU MICROMAX-007 HF

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
12.54092.80.166.213.8390165-1
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)
12.52.61900.522.063.2

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 DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT2.5132.5898018501392.70.209780.208520.23474RANDOM30.987
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]
-0.661.21-0.55
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.954
r_dihedral_angle_4_deg15.429
r_dihedral_angle_3_deg15.037
r_dihedral_angle_1_deg5.421
r_mcangle_it1.408
r_scbond_it1.285
r_angle_refined_deg1.102
r_angle_other_deg0.827
r_mcbond_it0.784
r_mcbond_other0.784
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.954
r_dihedral_angle_4_deg15.429
r_dihedral_angle_3_deg15.037
r_dihedral_angle_1_deg5.421
r_mcangle_it1.408
r_scbond_it1.285
r_angle_refined_deg1.102
r_angle_other_deg0.827
r_mcbond_it0.784
r_mcbond_other0.784
r_chiral_restr0.06
r_bond_refined_d0.006
r_gen_planes_refined0.004
r_bond_other_d0.003
r_gen_planes_other0.002
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_mcangle_other
r_scbond_other
r_scangle_it
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms11564
Nucleic Acid Atoms
Solvent Atoms703
Heterogen Atoms309

Software

Software
Software NamePurpose
REFMACrefinement
DENZOdata reduction
SCALEPACKdata scaling
PHASERphasing