5FVJ

Crystal structure of TacT (tRNA acetylating toxin) from Salmonella


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.522 % (W/V) PENTAERYTHRITOL ETHOXYLATE (15/4 EO/OH), 100 MM BIS-TRIS PH6.5, 50 MM AMMONIUM SULPHATE
Crystal Properties
Matthews coefficientSolvent content
2.1943.8

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 33.4α = 90
b = 85.66β = 93.21
c = 55.32γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PIXEL2015-11-23MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONDIAMOND BEAMLINE I04-1DiamondI04-1

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
11.755.296.20.148.66.232830-4
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
11.71.7996.50.8426

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 DIFFRACTIONSADTHROUGHOUTNONE1.755.2330992167695.530.174470.171640.2254RANDOM18.672
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]
0.750.24-0.63-0.15
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.397
r_sphericity_free17.723
r_dihedral_angle_4_deg14.405
r_dihedral_angle_3_deg13.823
r_rigid_bond_restr6.01
r_dihedral_angle_1_deg5.687
r_sphericity_bonded4.869
r_scbond_it1.906
r_mcangle_it1.581
r_angle_refined_deg1.524
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.397
r_sphericity_free17.723
r_dihedral_angle_4_deg14.405
r_dihedral_angle_3_deg13.823
r_rigid_bond_restr6.01
r_dihedral_angle_1_deg5.687
r_sphericity_bonded4.869
r_scbond_it1.906
r_mcangle_it1.581
r_angle_refined_deg1.524
r_mcbond_it1.443
r_mcbond_other1.414
r_angle_other_deg1.205
r_chiral_restr0.079
r_bond_refined_d0.012
r_gen_planes_refined0.006
r_bond_other_d0.005
r_gen_planes_other0.004
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_mcangle_other
r_scbond_other
r_scangle_it
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2491
Nucleic Acid Atoms
Solvent Atoms426
Heterogen Atoms102

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
PHENIXphasing