2VKY

Headbinding Domain of Phage P22 Tailspike C-Terminally Fused to Isoleucine Zipper pIIGCN4 (Chimera I)


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP6.5VAPOR DIFFUSION, HANGING DROP. PROTEIN: CONC. 8.2 MG/ML,BUFFER 50MM HEPES, PH6.5; RESERVOIR: 20% ISOPROPANOL, 0.1M NA-ACETATE, PH4.6, 0.2M CACL2; DROPLET 2 MICROL: 2 MICROL.CRYO:30% GLYCEROL.
Crystal Properties
Matthews coefficientSolvent content
359

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 57.81α = 90
b = 57.81β = 90
c = 107.12γ = 120
Symmetry
Space GroupP 63

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray110IMAGE PLATEMARRESEARCHSLITS2005-09-08MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU RU H2B

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
12.0519.799.60.0331.664.21271630.86
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)
12.052.299.50.113.64.2

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (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 DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRIES 1LKT, 1EBO2.05201211162299.80.1470.1450.187RANDOM24.46
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]
-0.73-0.37-0.731.1
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg28.184
r_dihedral_angle_3_deg13.98
r_scangle_it7.579
r_scbond_it5.756
r_dihedral_angle_1_deg5.599
r_dihedral_angle_4_deg4.875
r_mcangle_it2.846
r_mcbond_it2.511
r_angle_refined_deg1.45
r_angle_other_deg0.771
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg28.184
r_dihedral_angle_3_deg13.98
r_scangle_it7.579
r_scbond_it5.756
r_dihedral_angle_1_deg5.599
r_dihedral_angle_4_deg4.875
r_mcangle_it2.846
r_mcbond_it2.511
r_angle_refined_deg1.45
r_angle_other_deg0.771
r_symmetry_vdw_other0.218
r_nbd_refined0.214
r_symmetry_hbond_refined0.192
r_nbtor_refined0.18
r_nbd_other0.168
r_symmetry_vdw_refined0.166
r_xyhbond_nbd_refined0.137
r_chiral_restr0.093
r_nbtor_other0.087
r_bond_refined_d0.014
r_gen_planes_refined0.006
r_bond_other_d0.001
r_gen_planes_other0.001
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_mcangle_other
r_scbond_other
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1197
Nucleic Acid Atoms
Solvent Atoms173
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XSCALEdata scaling
MOLREPphasing