Structure of a Synaptic gamma-delta Resolvase Tetramer Covalently Linked to two Cleaved DNAs
X-RAY DIFFRACTION
Crystallization
Crystalization Experiments | ||||
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ID | Method | pH | Temperature | Details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 0.2M Sodium Chloride, 0.1M Magnesium Formate, 0.1M Sodium Acetate, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 25K |
Crystal Properties | |
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Matthews coefficient | Solvent content |
4.7 | 72 |
Crystal Data
Unit Cell | |
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Length ( Å ) | Angle ( ˚ ) |
a = 125.05 | α = 90 |
b = 125.05 | β = 90 |
c = 127.39 | γ = 120 |
Symmetry | |
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Space Group | P 32 2 1 |
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 | 100 | CCD | ADSC QUANTUM 4 | 2003-02-14 | M | SINGLE WAVELENGTH |
Radiation Source | |||||
---|---|---|---|---|---|
ID # | Source | Type | Wavelength List | Synchrotron Site | Beamline |
1 | SYNCHROTRON | CHESS BEAMLINE A1 | 0.909 | CHESS | A1 |
Data Collection
Overall | |||||||||||||||||||
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ID # | Resolution (High) | Resolution (Low) | Percent Possible (Observed) | R Sym I (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 | 3.9 | 41 | 94.9 | 0.094 | 11.9 | 3 | 11577 | 10987 | 3.14 | 1.5 |
Highest Resolution Shell | |||||||||||||||||||
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ID # | Resolution (High) | Resolution (Low) | Percent Possible (All) | Percent Possible (Observed) | R-Sym I (Observed) | Mean I Over Sigma (Observed) | Redundancy | Number Unique Reflections (All) | |||||||||||
1 | 3.9 | 94.9 | 0.094 | 11.9 | 3 |
Refinement
Statistics | |||||||||||||||||||
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Diffraction ID | Structure Solution Method | Cross Validation method | Resolution (High) | Resolution (Low) | Number Reflections (All) | 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 Details | Mean Isotropic B | ||||
X-RAY DIFFRACTION | MIR | THROUGHOUT | 3.9 | 34.5 | 9694 | 9281 | 1003 | 100 | 0.26975 | 0.26382 | 0.25 | 0.32237 | 0.29 | RANDOM | 97.11 |
RMS Deviations | |
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Key | Refinement Restraint Deviation |
r_dihedral_angle_2_deg | 39.668 |
r_dihedral_angle_3_deg | 20.576 |
r_dihedral_angle_4_deg | 19.575 |
r_dihedral_angle_1_deg | 5.439 |
r_angle_refined_deg | 1.329 |
r_nbtor_refined | 0.31 |
r_nbd_refined | 0.232 |
r_symmetry_vdw_refined | 0.182 |
r_xyhbond_nbd_refined | 0.165 |
r_symmetry_hbond_refined | 0.094 |
Non-Hydrogen Atoms Used in Refinement | |
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Non-Hydrogen Atoms | Number |
Protein Atoms | 2838 |
Nucleic Acid Atoms | 1422 |
Solvent Atoms | |
Heterogen Atoms |
Software
Software | |
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Software Name | Purpose |
REFMAC | refinement |
HKL-2000 | data reduction |
SCALEPACK | data scaling |
SOLVE | phasing |