1ZU8

Crystal structure of the goat signalling protein with a bound trisaccharide reveals that Trp78 reduces the carbohydrate binding site to half


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP7.829825mM Tris HCl, 50mM NaCl, 19% ethanol, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Crystal Properties
Matthews coefficientSolvent content
2.856.7

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 63.204α = 90
b = 66.689β = 90
c = 108.072γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray298IMAGE PLATEMARRESEARCHMIRROR2005-05-26MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU RU3001.5418

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
13.055698.60.147.7902336.7
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)
13.053.1699.80.4252

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (All)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 1QZO3.05569023859043398.610.1960.195540.193460.23583RANDOM35.895
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]
0.99-1.060.07
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_3_deg20.79
r_scangle_it5.703
r_scbond_it3.468
r_mcangle_it2.936
r_dihedral_angle_1_deg2.616
r_angle_refined_deg2.316
r_mcbond_it1.562
r_angle_other_deg1.344
r_nbtor_other0.284
r_nbd_refined0.269
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_3_deg20.79
r_scangle_it5.703
r_scbond_it3.468
r_mcangle_it2.936
r_dihedral_angle_1_deg2.616
r_angle_refined_deg2.316
r_mcbond_it1.562
r_angle_other_deg1.344
r_nbtor_other0.284
r_nbd_refined0.269
r_nbd_other0.265
r_symmetry_vdw_other0.231
r_symmetry_vdw_refined0.23
r_xyhbond_nbd_refined0.164
r_chiral_restr0.153
r_xyhbond_nbd_other0.065
r_symmetry_hbond_refined0.034
r_bond_refined_d0.027
r_gen_planes_refined0.014
r_gen_planes_other0.006
r_bond_other_d0.004
r_dihedral_angle_2_deg
r_dihedral_angle_4_deg
r_nbtor_refined
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 Atoms2877
Nucleic Acid Atoms
Solvent Atoms44
Heterogen Atoms81

Software

Software
Software NamePurpose
REFMACrefinement
DENZOdata reduction
SCALEPACKdata scaling
AMoREphasing