2J0Q

The crystal structure of the Exon Junction Complex at 3.2 A resolution


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
110% PEG 4000, 200 MM AMMONIUM ACETATE, 10 MM CACL2, NA CACODYLATE PH 6.5 .
Crystal Properties
Matthews coefficientSolvent content
2.755.5

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 69.15α = 90
b = 161.24β = 90
c = 193.24γ = 90
Symmetry
Space GroupP 21 21 21

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
13.25095.40.240.244.83.1349262
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)
13.23.497.20.680.6823.1

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 ENTRIES 1FUU, 1FUK, AND 1P273.246.983317917471000.2350.2320.277RANDOM66.93
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]
0.67-0.810.14
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.345
r_dihedral_angle_3_deg18.051
r_dihedral_angle_4_deg16.657
r_dihedral_angle_1_deg6.772
r_angle_refined_deg1.287
r_scangle_it1.078
r_angle_other_deg0.815
r_mcangle_it0.631
r_scbond_it0.588
r_mcbond_it0.387
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.345
r_dihedral_angle_3_deg18.051
r_dihedral_angle_4_deg16.657
r_dihedral_angle_1_deg6.772
r_angle_refined_deg1.287
r_scangle_it1.078
r_angle_other_deg0.815
r_mcangle_it0.631
r_scbond_it0.588
r_mcbond_it0.387
r_nbd_refined0.206
r_nbd_other0.181
r_nbtor_refined0.178
r_symmetry_vdw_refined0.165
r_xyhbond_nbd_refined0.148
r_symmetry_vdw_other0.144
r_symmetry_hbond_refined0.131
r_nbtor_other0.084
r_chiral_restr0.078
r_bond_refined_d0.009
r_gen_planes_refined0.003
r_bond_other_d0.002
r_gen_planes_other0.001
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 Atoms10919
Nucleic Acid Atoms242
Solvent Atoms1
Heterogen Atoms64

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing