4UQI

AP2 controls clathrin polymerization with a membrane-activated switch


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.218% PEG1000, 10MM NA/K PHOSPHATE PH 6.2, 200MM NACL, 4MM DTT, IP6
Crystal Properties
Matthews coefficientSolvent content
2.7555.37

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 121.3α = 90
b = 121.3β = 90
c = 259.37γ = 120
Symmetry
Space GroupP 31 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC CCDMIRRORS2010-10-20MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONDIAMOND BEAMLINE I03DiamondI03

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
12.7997.3799.90.0721.910.955666-374.2
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)
12.792.861000.863.211.2

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 ENTRY 2VGL2.7997.3752840282499.920.205730.202920.2592RANDOM83.089
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]
0.220.110.22-0.7
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.545
r_dihedral_angle_3_deg17.55
r_dihedral_angle_4_deg16.775
r_dihedral_angle_1_deg6.328
r_long_range_B_refined3.907
r_long_range_B_other3.907
r_scangle_other2.817
r_mcangle_it2.419
r_mcangle_other2.419
r_angle_other_deg2.152
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.545
r_dihedral_angle_3_deg17.55
r_dihedral_angle_4_deg16.775
r_dihedral_angle_1_deg6.328
r_long_range_B_refined3.907
r_long_range_B_other3.907
r_scangle_other2.817
r_mcangle_it2.419
r_mcangle_other2.419
r_angle_other_deg2.152
r_scbond_it1.82
r_scbond_other1.82
r_mcbond_it1.573
r_mcbond_other1.573
r_angle_refined_deg1.538
r_chiral_restr0.082
r_bond_refined_d0.012
r_gen_planes_refined0.006
r_gen_planes_other0.004
r_bond_other_d0.001
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_scangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms13849
Nucleic Acid Atoms
Solvent Atoms3
Heterogen Atoms37

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
SCALAdata scaling