4UW8 | pdb_00004uw8

Structure of the carboxy-terminal domain of the bacteriophage T5 L- shaped tail fiber with its intra-molecular chaperone domain


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 4UW7PDB ENTRY 4UW7

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1410 MM TRIS-HCL, 0.1 M SODIUM CITRATE PH 4.0, 12.5 % (W/V) PEG 2000
Crystal Properties
Matthews coefficientSolvent content
2.855.5

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 160.85α = 90
b = 99.29β = 91.51
c = 286.23γ = 90
Symmetry
Space GroupC 1 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS 6MVERTICAL FOCUSING MIRROR AND HORIZONTAL FOCUSING MIRROR ORTHOGONAL IN A KIRKPATRICK-BAEZ CONFIGURATION2013-11-08MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONALBA BEAMLINE XALOCALBAXALOC

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
12.5295.498.80.146.34.115077248.4
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)
12.522.6597.20.433.53.8

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-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 4UW72.5295.38148385206198.470.184970.184550.190.213110.22THIN SHELLS43.689
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]
0.650.53-0.15-0.52
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.486
r_dihedral_angle_4_deg14.046
r_dihedral_angle_3_deg13.996
r_dihedral_angle_1_deg6.808
r_scangle_it4.944
r_mcangle_it4.137
r_scbond_it3.097
r_mcbond_it2.661
r_mcbond_other2.66
r_angle_refined_deg1.397
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms27442
Nucleic Acid Atoms
Solvent Atoms936
Heterogen Atoms117

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
Aimlessdata scaling
PHASERphasing