2C1T

Structure of the Kap60p:Nup2 complex


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.8EXPERIMENTAL DETALS GIVEN IN ENTRY 1UN0 AND IN MATSUURA ET AL, EMBO J, 22, 5358, 2003., pH 6.80
Crystal Properties
Matthews coefficientSolvent content
2.449

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 129.813α = 90
b = 140.076β = 90
c = 63.99γ = 90
Symmetry
Space GroupP 21 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC CCD2003-04-21MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSRS BEAMLINE PX14.2SRSPX14.2

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
12.62097.50.09102.329670
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)
12.62.7498.30.531.82.3

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 REPLACEMENTTHROUGHOUTPDB ENTRY 1EE42.62033802180697.80.2050.2030.251RANDOM49.39
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]
-0.02-1.681.7
RMS Deviations
KeyRefinement Restraint Deviation
r_scangle_it7.614
r_dihedral_angle_1_deg6.378
r_mcangle_it4.862
r_scbond_it4.811
r_mcbond_it3.069
r_angle_refined_deg1.741
r_angle_other_deg1.023
r_symmetry_hbond_refined0.447
r_symmetry_vdw_other0.303
r_nbd_other0.231
RMS Deviations
KeyRefinement Restraint Deviation
r_scangle_it7.614
r_dihedral_angle_1_deg6.378
r_mcangle_it4.862
r_scbond_it4.811
r_mcbond_it3.069
r_angle_refined_deg1.741
r_angle_other_deg1.023
r_symmetry_hbond_refined0.447
r_symmetry_vdw_other0.303
r_nbd_other0.231
r_nbd_refined0.23
r_xyhbond_nbd_refined0.229
r_symmetry_vdw_refined0.199
r_chiral_restr0.111
r_nbtor_other0.091
r_bond_refined_d0.012
r_gen_planes_refined0.006
r_gen_planes_other0.003
r_bond_other_d0.001
r_dihedral_angle_2_deg
r_dihedral_angle_3_deg
r_dihedral_angle_4_deg
r_nbtor_refined
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_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 Atoms7122
Nucleic Acid Atoms
Solvent Atoms151
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
CNSphasing