4DJ7

Structure of the hemagglutinin complexed with 3SLN from a highly pathogenic H7N7 influenza virus


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1EVAPORATION829820 % PEG 8000 and 1 M lithium chloride, Microbatch under oil, temperature 298K, EVAPORATION
Crystal Properties
Matthews coefficientSolvent content
3.3363.06

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 200.279α = 90
b = 115.723β = 124.39
c = 117.656γ = 90
Symmetry
Space GroupC 1 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATEMAR scanner 300 mm plate2009-08-09MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 22-ID1.0APS22-ID

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (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
12.85097.80.0873.74982924.51.3
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.82.990.90.6933.1

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Cut-off Sigma (F)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 DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT2.815028890549829268197.160.209220.207450.24263RANDOM103.155
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]
-2.27-1.41-0.861.54
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg38.473
r_dihedral_angle_4_deg22.166
r_dihedral_angle_3_deg22.165
r_dihedral_angle_1_deg8.424
r_scangle_it7.552
r_scbond_it4.425
r_mcangle_it2.08
r_angle_refined_deg1.11
r_mcbond_it1.098
r_chiral_restr0.09
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg38.473
r_dihedral_angle_4_deg22.166
r_dihedral_angle_3_deg22.165
r_dihedral_angle_1_deg8.424
r_scangle_it7.552
r_scbond_it4.425
r_mcangle_it2.08
r_angle_refined_deg1.11
r_mcbond_it1.098
r_chiral_restr0.09
r_gen_planes_refined0.011
r_bond_refined_d0.009
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms11399
Nucleic Acid Atoms
Solvent Atoms30
Heterogen Atoms320

Software

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