3CMX
Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures
X-RAY DIFFRACTION
Crystallization
Crystalization Experiments | ||||
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ID | Method | pH | Temperature | Details |
1 | 8 | RecA5 fusion protein was incubated with a 3-fold molar excess of ssDNA in the original protein buffer supplemented with 2 mM ADP, 10 mM MgCl2 and 8 mM AlF4, pH 6.0. Crystals of the RecA5-(ADP-AlF4-Mg)5-(dT)15 complex were grown from 50 mM Tris-Cl, 9% (w/v) PVP K15, 32% (v/v) MPD, 10 mM DTT, pH 8.0. RecA5-(ADP-AlF4-Mg)5-(dT)15-(dA)12 complex were obtained by soaking the RecA5-(ADP-AlF4-Mg)5-(dT)15 crystals in a 0.2 mM solution of the complementary (dA)12 oligonucleotide in 25 mM Tris-Cl, 9% (w/v) PVP K15, 32% (v/v) MPD, 2 mM ADP, 8 mM AlF4, and 10 mM MgCl2 for 4 hr. |
Crystal Properties | |
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Matthews coefficient | Solvent content |
2.51 | 51.03 |
Crystal Data
Unit Cell | |
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Length ( Å ) | Angle ( ˚ ) |
a = 159 | α = 90 |
b = 300.5 | β = 90 |
c = 80.1 | γ = 90 |
Symmetry | |
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Space Group | P 21 21 2 |
Diffraction
Diffraction Experiment | ||||||||||||||
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ID # | Crystal ID | Scattering Type | Data Collection Temperature | Detector | Detector Type | Details | Collection Date | Monochromator | Protocol | |||||
1 | 1 | x-ray | 2007-02-01 | M | SINGLE WAVELENGTH |
Radiation Source | |||||
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ID # | Source | Type | Wavelength List | Synchrotron Site | Beamline |
1 | SYNCHROTRON | APS BEAMLINE 24-ID-C | APS | 24-ID-C |
Data Collection
Overall | |||||||||||||||||||
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ID # | Resolution (High) | Resolution (Low) | Percent Possible (Observed) | Net I Over Average Sigma (I) | Redundancy | Number Reflections (All) | Number Reflections (Observed) | Observed Criterion Sigma (F) | Observed Criterion Sigma (I) | B (Isotropic) From Wilson Plot | |||||||||
1 | 3.4 | 40 | 49365 |
Refinement
Statistics | |||||||||||||||||||
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Diffraction ID | Structure Solution Method | Cross Validation method | Resolution (High) | Resolution (Low) | Number Reflections (Observed) | Number Reflections (R-Free) | Percent Reflections (Observed) | R-Factor (Observed) | R-Work | R-Free | R-Free Selection Details | Mean Isotropic B | |||||||
X-RAY DIFFRACTION | MOLECULAR REPLACEMENT | THROUGHOUT | 3.4 | 40 | 49365 | 1588 | 94.7 | 0.239 | 0.238 | 0.256 | RANDOM | 31.61 |
Temperature Factor Modeling | ||||||
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Anisotropic B[1][1] | Anisotropic B[1][2] | Anisotropic B[1][3] | Anisotropic B[2][2] | Anisotropic B[2][3] | Anisotropic B[3][3] | |
-0.14 | 0.1 | 0.04 |
RMS Deviations | |
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Key | Refinement Restraint Deviation |
r_dihedral_angle_2_deg | 33.905 |
r_dihedral_angle_3_deg | 19.105 |
r_dihedral_angle_4_deg | 16.131 |
r_dihedral_angle_1_deg | 5.083 |
r_scangle_it | 2.422 |
r_scbond_it | 1.499 |
r_mcangle_it | 1.485 |
r_angle_refined_deg | 1.186 |
r_mcbond_it | 0.843 |
r_symmetry_vdw_refined | 0.388 |
Non-Hydrogen Atoms Used in Refinement | |
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Non-Hydrogen Atoms | Number |
Protein Atoms | 24166 |
Nucleic Acid Atoms | 963 |
Solvent Atoms | |
Heterogen Atoms | 330 |
Software
Software | |
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Software Name | Purpose |
REFMAC | refinement |