2GL7

Crystal Structure of a beta-catenin/BCL9/Tcf4 complex


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP729813% PEG 3350, 125mM sodium thiocyanate, 5% Glycerol, 10mM DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Crystal Properties
Matthews coefficientSolvent content
2.6553.63

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 96.764α = 90
b = 119.441β = 90
c = 130.549γ = 90
Symmetry
Space GroupP 21 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 42005-09-01MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONALS BEAMLINE 5.0.11.0000ALS5.0.1

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
12.55095.75794555482
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.52.5975.3

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)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 REPLACEMENTTHROUGHOUT2.6304678744428235999.120.22310.220820.26699RANDOM23.11
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]
6.91-3.03-3.88
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg4.663
r_scangle_it1.895
r_scbond_it1.042
r_angle_refined_deg1.035
r_angle_other_deg0.828
r_mcangle_it0.716
r_mcbond_it0.37
r_symmetry_hbond_refined0.25
r_symmetry_vdw_other0.201
r_nbd_other0.195
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg4.663
r_scangle_it1.895
r_scbond_it1.042
r_angle_refined_deg1.035
r_angle_other_deg0.828
r_mcangle_it0.716
r_mcbond_it0.37
r_symmetry_hbond_refined0.25
r_symmetry_vdw_other0.201
r_nbd_other0.195
r_nbd_refined0.178
r_xyhbond_nbd_refined0.127
r_symmetry_vdw_refined0.11
r_nbtor_other0.084
r_chiral_restr0.076
r_bond_refined_d0.009
r_gen_planes_refined0.003
r_bond_other_d0.002
r_gen_planes_other0.002
r_dihedral_angle_2_deg
r_dihedral_angle_3_deg
r_dihedral_angle_4_deg
r_nbtor_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
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 Atoms8301
Nucleic Acid Atoms
Solvent Atoms128
Heterogen Atoms

Software

Software
Software NamePurpose
ADSCdata collection
HKL-2000data reduction
AMoREphasing
REFMACrefinement
HKL-2000data scaling