1UW4

The structural basis of the interaction between nonsense mediated decay factors UPF2 and UPF3


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.5100 MM AMMONIUM ACETATE, 15 MM MAGNESIUM ACETATE 50 MM SODIUM CACODYLATE 6.5, 8% ISOPROPANOL, pH 6.50
Crystal Properties
Matthews coefficientSolvent content
2.957.2

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 70.306α = 90
b = 100.178β = 90
c = 153.458γ = 90
Symmetry
Space GroupP 21 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC CCDTOROIDAL MIRROR2003-04-16MMAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID14-40.9393, 0.9792, 0.9795ESRFID14-4

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
11.9533.799.50.06413.744.379316
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)
11.952.198.60.34.34

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (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 DIFFRACTIONMADTHROUGHOUT1.95307692523791000.2050.2040.227RANDOM25.68
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]
0.910.67-1.58
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg5.103
r_scangle_it2.598
r_scbond_it1.577
r_angle_refined_deg1.122
r_mcangle_it0.927
r_angle_other_deg0.8
r_mcbond_it0.488
r_symmetry_vdw_other0.3
r_nbd_other0.217
r_nbd_refined0.197
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg5.103
r_scangle_it2.598
r_scbond_it1.577
r_angle_refined_deg1.122
r_mcangle_it0.927
r_angle_other_deg0.8
r_mcbond_it0.488
r_symmetry_vdw_other0.3
r_nbd_other0.217
r_nbd_refined0.197
r_symmetry_vdw_refined0.192
r_xyhbond_nbd_refined0.143
r_symmetry_hbond_refined0.131
r_nbtor_other0.079
r_chiral_restr0.068
r_bond_refined_d0.01
r_gen_planes_refined0.004
r_bond_other_d0.002
r_gen_planes_other0.002
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 Atoms5657
Nucleic Acid Atoms
Solvent Atoms314
Heterogen Atoms2

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XSCALEdata scaling
SOLVE/RESOLVEphasing