2W9R

Structural basis of N-end rule substrate recognition in Escherichia coli by the ClpAP adaptor protein ClpS


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
17pH 7
Crystal Properties
Matthews coefficientSolvent content
2.348

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 28.08α = 97.44
b = 28.23β = 106.45
c = 38.91γ = 92.39
Symmetry
Space GroupP 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray90CCDMARRESEARCHMIRRORSMSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSLS BEAMLINE X10SASLSX10SA

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
11.73091.10.0412.42.1115404

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 DIFFRACTIONOTHERTHROUGHOUTNONE1.725109255741000.2280.2260.254RANDOM22.07
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]
-0.78-0.381.15-0.66-0.331.97
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg39.382
r_dihedral_angle_4_deg22.223
r_dihedral_angle_3_deg16.099
r_dihedral_angle_1_deg6.005
r_scangle_it2.223
r_scbond_it1.53
r_angle_refined_deg1.193
r_mcangle_it1.099
r_mcbond_it0.699
r_nbtor_refined0.302
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg39.382
r_dihedral_angle_4_deg22.223
r_dihedral_angle_3_deg16.099
r_dihedral_angle_1_deg6.005
r_scangle_it2.223
r_scbond_it1.53
r_angle_refined_deg1.193
r_mcangle_it1.099
r_mcbond_it0.699
r_nbtor_refined0.302
r_symmetry_vdw_refined0.228
r_nbd_refined0.204
r_symmetry_hbond_refined0.181
r_xyhbond_nbd_refined0.124
r_chiral_restr0.081
r_bond_refined_d0.009
r_gen_planes_refined0.004
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_mcangle_other
r_scbond_other
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms856
Nucleic Acid Atoms
Solvent Atoms68
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XDSdata scaling