2C9W | pdb_00002c9w

CRYSTAL STRUCTURE OF SOCS-2 IN COMPLEX WITH ELONGIN-B AND ELONGIN-C AT 1.9A RESOLUTION


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 1O4HPDB ENTRIES 1O4H, 1LM8
experimental modelPDB 1LM8PDB ENTRIES 1O4H, 1LM8

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP2772M AMSO4 0.2M NACL, 0.1M CACODYLATE PH 6.5 300 NL SITTING DROPS AT 4 DEGREES
Crystal Properties
Matthews coefficientSolvent content
2.754.8

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 105.29α = 90
b = 105.29β = 90
c = 70.2γ = 120
Symmetry
Space GroupP 32 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARRESEARCHMIRRORS2005-11-18MSINGLE 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
11.938.2598.60.072628.911.63952403
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)
11.9298.50.313.2911.19

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-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRIES 1O4H, 1LM81.991.2933443176298.70.1870.1850.190.2250.23RANDOM42.4
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]
0.550.270.55-0.82
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg32.314
r_dihedral_angle_4_deg18.195
r_dihedral_angle_3_deg13.712
r_scangle_it6.814
r_dihedral_angle_1_deg5.639
r_scbond_it5.02
r_mcangle_it3.094
r_mcbond_it2.144
r_angle_refined_deg1.209
r_nbtor_refined0.31
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg32.314
r_dihedral_angle_4_deg18.195
r_dihedral_angle_3_deg13.712
r_scangle_it6.814
r_dihedral_angle_1_deg5.639
r_scbond_it5.02
r_mcangle_it3.094
r_mcbond_it2.144
r_angle_refined_deg1.209
r_nbtor_refined0.31
r_nbd_refined0.192
r_xyhbond_nbd_refined0.151
r_symmetry_vdw_refined0.149
r_symmetry_hbond_refined0.115
r_chiral_restr0.076
r_bond_refined_d0.01
r_gen_planes_refined0.005
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 Atoms2621
Nucleic Acid Atoms
Solvent Atoms172
Heterogen Atoms18

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XDSdata scaling
PHASERphasing