3CMV

Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.5RecA4 fusion protein mixed with 2 mM AMPPNP and 10 mM MgCl2, pH 7.5, followed by crystallization from 100 mM Bis-Tris-Cl, 7% (w/v) PEG 3350, 100 mM KSCN, 25% (v/v) ethylene glycol, pH 6.5.
Crystal Properties
Matthews coefficientSolvent content
3.0759.89

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 176.6α = 90
b = 189.8β = 90
c = 424.3γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray2007-08-01MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 24-ID-CAPS24-ID-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
14.34087622

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 DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT4.32087622181092.70.243510.243140.26144RANDOM220.934
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]
-5.045.79-0.75
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg39.831
r_dihedral_angle_3_deg21.654
r_dihedral_angle_4_deg15.154
r_dihedral_angle_1_deg6.942
r_scangle_it2.096
r_mcangle_it1.676
r_angle_refined_deg1.616
r_scbond_it1.235
r_mcbond_it0.934
r_symmetry_vdw_refined0.487
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg39.831
r_dihedral_angle_3_deg21.654
r_dihedral_angle_4_deg15.154
r_dihedral_angle_1_deg6.942
r_scangle_it2.096
r_mcangle_it1.676
r_angle_refined_deg1.616
r_scbond_it1.235
r_mcbond_it0.934
r_symmetry_vdw_refined0.487
r_nbtor_refined0.318
r_symmetry_hbond_refined0.279
r_nbd_refined0.253
r_xyhbond_nbd_refined0.168
r_chiral_restr0.098
r_metal_ion_refined0.043
r_bond_refined_d0.016
r_gen_planes_refined0.004
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_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms70737
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms1024

Software

Software
Software NamePurpose
REFMACrefinement