2J0S

The crystal structure of the Exon Junction Complex at 2.2 A resolution


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
18% PEG 6000, 100 MM MGCL2, 100 MM MES PH 6.0
Crystal Properties
Matthews coefficientSolvent content
3.0559.7

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 169.44α = 90
b = 169.44β = 90
c = 71.04γ = 120
Symmetry
Space GroupP 64

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARRESEARCH2006-06-17MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSLS BEAMLINE X06SASLSX06SA

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)R Sym 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
12.25098.90.080.0811.13.6586312.5
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.22.395.60.540.542.52.9

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 1FUU, 1FUK, 1P272.2143.735569829321000.1870.1850.216RANDOM43.99
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]
-0.33-0.16-0.330.49
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.31
r_dihedral_angle_4_deg19.794
r_dihedral_angle_3_deg16.902
r_dihedral_angle_1_deg6.456
r_scangle_it2.724
r_scbond_it1.746
r_angle_refined_deg1.493
r_mcangle_it1.148
r_angle_other_deg0.843
r_mcbond_it0.806
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.31
r_dihedral_angle_4_deg19.794
r_dihedral_angle_3_deg16.902
r_dihedral_angle_1_deg6.456
r_scangle_it2.724
r_scbond_it1.746
r_angle_refined_deg1.493
r_mcangle_it1.148
r_angle_other_deg0.843
r_mcbond_it0.806
r_symmetry_vdw_other0.27
r_xyhbond_nbd_refined0.225
r_nbd_refined0.195
r_nbd_other0.191
r_nbtor_refined0.178
r_mcbond_other0.151
r_symmetry_hbond_refined0.148
r_symmetry_vdw_refined0.111
r_nbtor_other0.088
r_chiral_restr0.085
r_metal_ion_refined0.039
r_bond_refined_d0.014
r_gen_planes_refined0.005
r_bond_other_d0.001
r_gen_planes_other0.001
r_xyhbond_nbd_other
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_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 Atoms5359
Nucleic Acid Atoms121
Solvent Atoms344
Heterogen Atoms32

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing