5FV5

KpFlo11 presents a novel member of the Flo11 family with a unique recognition pattern for homophilic interactions


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
14.60.2 M AMMONIUM ACETATE, 0.1 M SODIUM ACETATE PH 4.6, 15 % PEG 4000
Crystal Properties
Matthews coefficientSolvent content
1.8132.05

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 35.54α = 90
b = 58.52β = 90
c = 76.55γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS 6MMIRRORS2015-03-21MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONBESSY BEAMLINE 14.1BESSY14.1

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
11.43095.90.0620.956.7427774.3
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)
11.41.4594.70.464.76.9

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 ENTRY 4UYS1.43029332158195.930.135960.133550.17937RANDOM16.887
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]
1.38-1.12-0.26
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.221
r_sphericity_free37.008
r_dihedral_angle_4_deg16.755
r_dihedral_angle_3_deg13.216
r_sphericity_bonded10.694
r_dihedral_angle_1_deg7.756
r_scbond_it2.259
r_mcangle_it1.982
r_rigid_bond_restr1.661
r_angle_refined_deg1.659
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.221
r_sphericity_free37.008
r_dihedral_angle_4_deg16.755
r_dihedral_angle_3_deg13.216
r_sphericity_bonded10.694
r_dihedral_angle_1_deg7.756
r_scbond_it2.259
r_mcangle_it1.982
r_rigid_bond_restr1.661
r_angle_refined_deg1.659
r_mcbond_it1.602
r_mcbond_other1.564
r_angle_other_deg0.947
r_chiral_restr0.094
r_bond_refined_d0.012
r_gen_planes_refined0.008
r_bond_other_d0.002
r_gen_planes_other0.002
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 Atoms1388
Nucleic Acid Atoms
Solvent Atoms221
Heterogen Atoms12

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
XDSdata scaling
PHASERphasing