1RUV
RIBONUCLEASE A-URIDINE VANADATE COMPLEX: HIGH RESOLUTION RESOLUTION X-RAY STRUCTURE (1.3 A)
X-RAY DIFFRACTION
Crystallization
Crystal Properties | |
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Matthews coefficient | Solvent content |
2.12 | 42.03 |
Crystal Data
Unit Cell | |
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Length ( Å ) | Angle ( ˚ ) |
a = 29.8 | α = 90 |
b = 38.2 | β = 106.1 |
c = 53.2 | γ = 90 |
Symmetry | |
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Space Group | P 1 21 1 |
Diffraction
Diffraction Experiment | ||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ID # | Crystal ID | Scattering Type | Data Collection Temperature | Detector | Detector Type | Details | Collection Date | Monochromator | Protocol | |||||
1 | 1 | x-ray | AREA DETECTOR | ELECTRONICS COMPUTING TECHNOLOGIES | M |
Radiation Source | |||||
---|---|---|---|---|---|
ID # | Source | Type | Wavelength List | Synchrotron Site | Beamline |
1 |
Data Collection
Refinement
Statistics | |||||||||||||||||||
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Diffraction ID | Structure Solution Method | Resolution (High) | Resolution (Low) | Cut-off Sigma (F) | Number Reflections (Observed) | Number Reflections (R-Free) | Percent Reflections (Observed) | R-Work | R-Free | Mean Isotropic B | |||||||||
X-RAY DIFFRACTION | 1.25 | 10 | 2 | 22113 | 0.197 |
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] | |
RMS Deviations | |
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Key | Refinement Restraint Deviation |
p_orthonormal_tor | 18.7 |
p_staggered_tor | 13.3 |
p_planar_tor | 3.3 |
p_scangle_it | 3.106 |
p_scbond_it | 1.968 |
p_mcangle_it | 1.53 |
p_mcbond_it | 1.028 |
p_chiral_restr | 0.168 |
p_multtor_nbd | 0.162 |
p_xhyhbond_nbd | 0.145 |
Non-Hydrogen Atoms Used in Refinement | |
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Non-Hydrogen Atoms | Number |
Protein Atoms | 1930 |
Nucleic Acid Atoms | |
Solvent Atoms | 131 |
Heterogen Atoms | 48 |
Software
Software | |
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Software Name | Purpose |
XENGEN | data collection |
PROFFT | refinement |
XENGEN | data reduction |