1SZP

A Crystal Structure of the Rad51 Filament


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP5292NaCitrate, PEG 5000-MME, Xylitol, Ammmonium Sulfate, Sodium Chloride, Magnesium Chloride, Dithiotritol, Sodium Azide, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Crystal Properties
Matthews coefficientSolvent content
3.2562.15

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 135.262α = 90
b = 135.262β = 90
c = 128.887γ = 120
Symmetry
Space GroupP 31

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 42003-02-25MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 14-BM-C0.9APS14-BM-C

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (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
13.254099.24179741066-3-3

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (All)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1N0W3.25404179736964406388.40.27280.272860.26780.31978RANDOM48.895
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]
2.991.52.99-4.49
RMS Deviations
KeyRefinement Restraint Deviation
r_scangle_it7.57
r_dihedral_angle_1_deg6.345
r_scbond_it4.257
r_mcangle_it3.266
r_angle_refined_deg2.846
r_mcbond_it1.722
r_angle_other_deg1.321
r_nbd_refined0.388
r_symmetry_hbond_refined0.3
r_nbd_other0.291
RMS Deviations
KeyRefinement Restraint Deviation
r_scangle_it7.57
r_dihedral_angle_1_deg6.345
r_scbond_it4.257
r_mcangle_it3.266
r_angle_refined_deg2.846
r_mcbond_it1.722
r_angle_other_deg1.321
r_nbd_refined0.388
r_symmetry_hbond_refined0.3
r_nbd_other0.291
r_symmetry_vdw_refined0.258
r_symmetry_vdw_other0.249
r_xyhbond_nbd_refined0.223
r_chiral_restr0.147
r_nbtor_other0.114
r_bond_refined_d0.043
r_gen_planes_refined0.011
r_gen_planes_other0.01
r_bond_other_d0.004
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_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms12553
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms30

Software

Software
Software NamePurpose
REFMACrefinement
DENZOdata reduction
SCALEPACKdata scaling
EPMRphasing