2YPG

Haemagglutinin of 1968 Human H3N2 Virus in Complex with Human Receptor Analogue LSTc


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
11.7-2 M TRIAMMONIUM CITRATE PH 6.5
Crystal Properties
Matthews coefficientSolvent content
6.4280.7

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 160.767α = 90
b = 160.767β = 90
c = 177.21γ = 90
Symmetry
Space GroupP 41

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray77CCDADSC CCD2012-02-13MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONDIAMOND BEAMLINE I04DiamondI04

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
12.85177.211000.1311.261048972.7

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-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT2.85160.779961152381000.177710.177040.17720.190360.1905RANDOM39.986
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]
-0.47-0.470.95
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg35.433
r_dihedral_angle_4_deg18.724
r_dihedral_angle_3_deg14.415
r_dihedral_angle_1_deg5.338
r_angle_refined_deg1.462
r_angle_other_deg0.921
r_chiral_restr0.075
r_bond_refined_d0.007
r_gen_planes_refined0.004
r_bond_other_d0.003
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms11586
Nucleic Acid Atoms
Solvent Atoms433
Heterogen Atoms716

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
PHASERphasing