3JUA

Structural basis of YAP recognition by TEAD4 in the Hippo pathway


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1HANGING DROP5.6298PEG10000, Mg Acetate, pH5.6, HANGING DROP, temperature 298K
Crystal Properties
Matthews coefficientSolvent content
5.07675.77

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 100.982α = 90
b = 146.91β = 90
c = 165.471γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-rayCCDADSC QUANTUM 12008-11-13MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE BM14ESRFBM14

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (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
12.874.34699.90.060.0614.23.661276
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.82.91000.6050.6051.23.65928

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 DIFFRACTIONSADTHROUGHOUT32047233251699.90.238930.236330.28842RANDOM28.077
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]
1.832.52-4.34
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.261
r_dihedral_angle_3_deg21.748
r_dihedral_angle_4_deg20.803
r_dihedral_angle_1_deg9.271
r_scangle_it1.951
r_angle_refined_deg1.876
r_scbond_it1.127
r_mcangle_it0.898
r_mcbond_it0.467
r_chiral_restr0.111
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.261
r_dihedral_angle_3_deg21.748
r_dihedral_angle_4_deg20.803
r_dihedral_angle_1_deg9.271
r_scangle_it1.951
r_angle_refined_deg1.876
r_scbond_it1.127
r_mcangle_it0.898
r_mcbond_it0.467
r_chiral_restr0.111
r_bond_refined_d0.012
r_gen_planes_refined0.011
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
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_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms7856
Nucleic Acid Atoms
Solvent Atoms199
Heterogen Atoms

Software

Software
Software NamePurpose
SCALAdata scaling
REFMACrefinement
PDB_EXTRACTdata extraction