1XKS

The crystal structure of the N-terminal domain of Nup133 reveals a beta-propeller fold common to several nucleoporins


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
15.7277PEG 3350, lithium sulfate, bis-tris, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K, pH 5.70
Crystal Properties
Matthews coefficientSolvent content
2.651.5

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 84.588α = 90
b = 84.588β = 90
c = 139.048γ = 90
Symmetry
Space GroupP 43 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 2102004-01-28MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONALS BEAMLINE 8.2.1ALS8.2.1

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (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
12.3540.596.520899171.03
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.352.3993.2

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONSADTHROUGHOUTModel built by SAD data from SeMet derivative2.3540.462089920899203696.50.20.1960.236RANDOM65.99
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]
-0.79-0.791.57
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.669
r_dihedral_angle_4_deg20.311
r_dihedral_angle_3_deg16.465
r_dihedral_angle_1_deg6.029
r_mcangle_it4.686
r_scangle_it4.539
r_scbond_it2.983
r_mcbond_it2.716
r_angle_refined_deg2.167
r_nbtor_refined0.33
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.669
r_dihedral_angle_4_deg20.311
r_dihedral_angle_3_deg16.465
r_dihedral_angle_1_deg6.029
r_mcangle_it4.686
r_scangle_it4.539
r_scbond_it2.983
r_mcbond_it2.716
r_angle_refined_deg2.167
r_nbtor_refined0.33
r_symmetry_vdw_refined0.257
r_nbd_refined0.253
r_symmetry_hbond_refined0.252
r_xyhbond_nbd_refined0.205
r_chiral_restr0.158
r_bond_refined_d0.025
r_gen_planes_refined0.01
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_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2845
Nucleic Acid Atoms
Solvent Atoms95
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
SCALEPACKdata scaling
CNSphasing