1P27 | pdb_00001p27

Crystal Structure of the Human Y14/Magoh complex


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.3547.1

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 47.15α = 90
b = 108.455β = 90.24
c = 50.942γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-rayCCDADSC QUANTUM 4MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONNSLS BEAMLINE X251.7114, 1.7113, 1.6755NSLSX25

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (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
1246.11970.076.53381033810

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-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMADTHROUGHOUT246.1132107170197.780.222320.219850.390.268280.07RANDOM21.407
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]
-0.09-0.080.080.02
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg6.992
r_scangle_it3.895
r_scbond_it2.414
r_mcangle_it1.759
r_angle_refined_deg1.646
r_mcbond_it0.945
r_angle_other_deg0.931
r_symmetry_hbond_refined0.36
r_symmetry_vdw_other0.271
r_nbd_other0.245
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg6.992
r_scangle_it3.895
r_scbond_it2.414
r_mcangle_it1.759
r_angle_refined_deg1.646
r_mcbond_it0.945
r_angle_other_deg0.931
r_symmetry_hbond_refined0.36
r_symmetry_vdw_other0.271
r_nbd_other0.245
r_nbd_refined0.221
r_xyhbond_nbd_refined0.208
r_symmetry_vdw_refined0.191
r_chiral_restr0.118
r_nbtor_other0.092
r_bond_refined_d0.016
r_gen_planes_refined0.007
r_gen_planes_other0.007
r_bond_other_d0.003
r_dihedral_angle_2_deg
r_xyhbond_nbd_other
r_symmetry_hbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms3866
Nucleic Acid Atoms
Solvent Atoms100
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
DENZOdata reduction
SCALEPACKdata scaling