6FJU

Rpn11 homolog from Caldiarchaeum Subterraneum


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP294100 mM HEPES pH 7.0, 15% PEG 4000
Crystal Properties
Matthews coefficientSolvent content
2.0640.22

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 64.452α = 90
b = 65.614β = 90
c = 99.708γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS 6M-F2015-04-27MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSLS BEAMLINE X10SA1.0SLSX10SA

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)CC (Half)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
11.6533.899.70.0550.99918.86.8651685
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)CC (Half)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
11.651.7598.20.9730.7911.776.29

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 REPLACEMENTTHROUGHOUT4OCL1.6533.849099258599.740.166980.165760.19025RANDOM33.662
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]
0.83-1.280.45
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg32.791
r_dihedral_angle_4_deg22.382
r_dihedral_angle_3_deg12.671
r_long_range_B_refined7.852
r_long_range_B_other7.754
r_dihedral_angle_1_deg6.049
r_scangle_other4.549
r_mcangle_it3.035
r_mcangle_other3.035
r_scbond_it2.986
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg32.791
r_dihedral_angle_4_deg22.382
r_dihedral_angle_3_deg12.671
r_long_range_B_refined7.852
r_long_range_B_other7.754
r_dihedral_angle_1_deg6.049
r_scangle_other4.549
r_mcangle_it3.035
r_mcangle_other3.035
r_scbond_it2.986
r_scbond_other2.972
r_mcbond_it2.075
r_mcbond_other2.063
r_angle_refined_deg1.89
r_angle_other_deg1.316
r_chiral_restr0.125
r_bond_refined_d0.02
r_gen_planes_refined0.011
r_bond_other_d0.007
r_gen_planes_other0.006
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 Atoms2713
Nucleic Acid Atoms
Solvent Atoms245
Heterogen Atoms7

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XDSdata scaling
MOLREPphasing