5BXL

Yeast 20S proteasome beta2-G170A mutant


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP6.829320 mM MgAC2, 13% MPD, 0.1 M MES
Crystal Properties
Matthews coefficientSolvent content
3.6766.52

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 134.8α = 90
b = 300.94β = 112.71
c = 144.49γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELPSI PILATUS 6M2014-02-15MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSLS BEAMLINE X06SA1.0SLSX06SA

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
12.85094.40.07811.12.8260168245599
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)
12.82.996.30.4752.5

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 REPLACEMENTTHROUGHOUT1RYP2.8152333181228094.560.190570.189370.21361RANDOM61.554
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]
4.34-2.25-7.372.94
RMS Deviations
KeyRefinement Restraint Deviation
r_sphericity_free37.942
r_dihedral_angle_2_deg34.642
r_dihedral_angle_4_deg15.314
r_dihedral_angle_3_deg15.051
r_sphericity_bonded5.185
r_dihedral_angle_1_deg4.897
r_long_range_B_refined2.764
r_long_range_B_other2.722
r_mcangle_it2.221
r_mcangle_other2.221
RMS Deviations
KeyRefinement Restraint Deviation
r_sphericity_free37.942
r_dihedral_angle_2_deg34.642
r_dihedral_angle_4_deg15.314
r_dihedral_angle_3_deg15.051
r_sphericity_bonded5.185
r_dihedral_angle_1_deg4.897
r_long_range_B_refined2.764
r_long_range_B_other2.722
r_mcangle_it2.221
r_mcangle_other2.221
r_scangle_other2.095
r_scbond_it1.79
r_scbond_other1.79
r_mcbond_it1.728
r_mcbond_other1.728
r_angle_refined_deg0.948
r_rigid_bond_restr0.886
r_angle_other_deg0.687
r_chiral_restr0.051
r_bond_refined_d0.005
r_gen_planes_refined0.003
r_bond_other_d0.002
r_gen_planes_other0.001
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
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms49263
Nucleic Acid Atoms
Solvent Atoms521
Heterogen Atoms11

Software

Software
Software NamePurpose
XDSdata reduction
XSCALEdata scaling
REFMACphasing
REFMACrefinement