3F1I

Human ESCRT-0 Core Complex


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP529414% MPD, 100 mM CaCl2, 0.1 M sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Crystal Properties
Matthews coefficientSolvent content
3.9769.02

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 78.059α = 90
b = 78.059β = 90
c = 152.849γ = 90
Symmetry
Space GroupI 41

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCD2008-06-11MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 22-ID1.0000APS22-ID

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
12.369.50.07723.47.520041
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)
12.32.380.3254.26

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (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 DIFFRACTIONSIRASTHROUGHOUT2.344.7719005101999.240.239410.238710.25305RANDOM52.794
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]
1.291.29-2.58
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg35.919
r_dihedral_angle_3_deg16.136
r_dihedral_angle_4_deg13.944
r_dihedral_angle_1_deg4.974
r_scangle_it3.098
r_scbond_it2.132
r_angle_refined_deg1.388
r_mcangle_it1
r_angle_other_deg0.938
r_mcbond_it0.852
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg35.919
r_dihedral_angle_3_deg16.136
r_dihedral_angle_4_deg13.944
r_dihedral_angle_1_deg4.974
r_scangle_it3.098
r_scbond_it2.132
r_angle_refined_deg1.388
r_mcangle_it1
r_angle_other_deg0.938
r_mcbond_it0.852
r_symmetry_vdw_refined0.357
r_symmetry_vdw_other0.286
r_nbd_refined0.212
r_xyhbond_nbd_refined0.182
r_mcbond_other0.173
r_nbtor_refined0.167
r_nbd_other0.163
r_symmetry_hbond_refined0.139
r_nbtor_other0.086
r_chiral_restr0.077
r_bond_refined_d0.015
r_gen_planes_refined0.005
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_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1614
Nucleic Acid Atoms
Solvent Atoms28
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
PDB_EXTRACTdata extraction
HKL-2000data collection
XDSdata reduction
XSCALEdata scaling
SHARPphasing