2ZIX

Crystal structure of the Mus81-Eme1 complex


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP6.52770.1M BTP, 1.25M Li2SO4, 100mM MgCl2, 2mM CdCl2, VAPOR DIFFUSION, HANGING DROP, pH 6.5, temperature 277K
Crystal Properties
Matthews coefficientSolvent content
2.652.73

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 85.814α = 90
b = 85.814β = 90
c = 176.409γ = 120
Symmetry
Space GroupP 31 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 2102006-09-30MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONPAL/PLS BEAMLINE 4A0.9795PAL/PLS4A

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
13.45097.40.1310.09417.19.81120410913
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)
3.43.5293.20.3030.3593.64.2966

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 2ZIU3.520874644192.690.288150.285240.34554RANDOM34.093
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]
2.751.372.75-4.12
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg44.204
r_dihedral_angle_3_deg27.534
r_dihedral_angle_4_deg21.452
r_dihedral_angle_1_deg13.866
r_angle_refined_deg2.078
r_symmetry_vdw_refined0.425
r_nbd_refined0.411
r_xyhbond_nbd_refined0.378
r_symmetry_hbond_refined0.361
r_nbtor_refined0.344
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg44.204
r_dihedral_angle_3_deg27.534
r_dihedral_angle_4_deg21.452
r_dihedral_angle_1_deg13.866
r_angle_refined_deg2.078
r_symmetry_vdw_refined0.425
r_nbd_refined0.411
r_xyhbond_nbd_refined0.378
r_symmetry_hbond_refined0.361
r_nbtor_refined0.344
r_chiral_restr0.167
r_bond_refined_d0.013
r_gen_planes_refined0.008
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_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_it
r_mcbond_other
r_mcangle_it
r_scbond_it
r_scangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms4154
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data collection
HKL-2000data reduction
SCALEPACKdata scaling
PHASERphasing