1GMJ
The structure of bovine IF1, the regulatory subunit of mitochondrial F-ATPase
X-RAY DIFFRACTION
Crystallization
Crystalization Experiments | ||||
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ID | Method | pH | Temperature | Details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 296 | CRYSTALS WERE GROWN BY EQUILIBRATING A IF1-H49K SOLUTION, AT 6 MG/ML IN BUFFER 10 MM TRIS-HCL PH 8.0, RESERVOIR CONTAINING 0.8 M MONO-SODIUM DIHYDROGEN PHOSPHAT AGAINST A 0.8 M MONO-POTASSIUM DIHYDROGEN PHOSPHATE AND 0.1 M HEPES-NA BUFFER PH 8, AT 23C, IN SITTING-DROP VAPOR-DIFFUSION TRAYS. |
Crystal Properties | |
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Matthews coefficient | Solvent content |
3.6 | 65 |
Crystal Data
Unit Cell | |
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Length ( Å ) | Angle ( ˚ ) |
a = 32.01 | α = 90 |
b = 53.29 | β = 95.89 |
c = 156.94 | γ = 90 |
Symmetry | |
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Space Group | P 1 21 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 | MARRESEARCH | 2000-12-15 | M | SINGLE WAVELENGTH |
Radiation Source | |||||
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ID # | Source | Type | Wavelength List | Synchrotron Site | Beamline |
1 | SYNCHROTRON | ESRF BEAMLINE ID14-1 | ESRF | ID14-1 |
Data Collection
Overall | |||||||||||||||||||
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ID # | Resolution (High) | Resolution (Low) | Percent Possible (Observed) | R Merge 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 | 2.2 | 14.2 | 72.3 | 0.065 | 10.5 | 2.4 | 18750 | 33.1 |
Highest Resolution Shell | |||||||||||||||||||
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ID # | Resolution (High) | Resolution (Low) | Percent Possible (All) | Percent Possible (Observed) | R Merge I (Observed) | Mean I Over Sigma (Observed) | Redundancy | Number Unique Reflections (All) | |||||||||||
1 | 2.2 | 2.35 | 10.8 | 0.227 | 3.7 | 2.4 |
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 | SIRAS | THROUGHOUT | 2.2 | 26 | 18832 | 1860 | 69.7 | 0.258 | 0.258 | 0.28 | RANDOM | 72.8 |
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] | |
15.13 | 7.1 | -45.2 | 30.07 |
RMS Deviations | |
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Key | Refinement Restraint Deviation |
c_dihedral_angle_d | 15.05 |
c_scangle_it | 14.6 |
c_scbond_it | 10.5 |
c_mcangle_it | 6 |
c_mcbond_it | 4.1 |
c_angle_deg | 1.16 |
c_improper_angle_d | 0.73 |
c_bond_d | 0.009 |
c_bond_d_na | |
c_bond_d_prot |
Non-Hydrogen Atoms Used in Refinement | |
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Non-Hydrogen Atoms | Number |
Protein Atoms | 2037 |
Nucleic Acid Atoms | |
Solvent Atoms | |
Heterogen Atoms |
Software
Software | |
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Software Name | Purpose |
MOSFLM | data reduction |
CCP4 | data scaling |
MLPHARE | phasing |
SHARP | phasing |
CNS | refinement |