1HZX
CRYSTAL STRUCTURE OF BOVINE RHODOPSIN
X-RAY DIFFRACTION
Crystallization
Crystalization Experiments | ||||
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ID | Method | pH | Temperature | Details |
1 | 6 | MES, 2-MERCAPTOETHANOL, ZINC ACETATE, HEPTANETRIOL, NONYL-GLUCOSIDE, AMMONIUM SULFATE ARE IN THE HANGING DROPS. MERCURY ACETATE, pH 6.00 |
Crystal Properties | |
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Matthews coefficient | Solvent content |
4.1 | 70 |
Crystal Data
Unit Cell | |
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Length ( Å ) | Angle ( ˚ ) |
a = 97.246 | α = 90 |
b = 97.246 | β = 90 |
c = 149.544 | γ = 90 |
Symmetry | |
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Space Group | P 41 |
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 | 1999-12-12 | M | SINGLE WAVELENGTH |
Radiation Source | |||||
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ID # | Source | Type | Wavelength List | Synchrotron Site | Beamline |
1 | SYNCHROTRON | APS BEAMLINE 19-ID | APS | 19-ID |
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 | 2.8 | 30 | 97 | 0.121 | 9.5 | 3.35 | 33221 | 1.2 | 37.3 |
Highest Resolution Shell | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 | 2.8 | 2.9 | 80.7 | 0.69 | 1.17 | 2.5 |
Refinement
Statistics | |||||||||||||||||||
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Diffraction ID | Structure Solution Method | Cross Validation method | Resolution (High) | Resolution (Low) | Cut-off Sigma (F) | Number Reflections (Observed) | Number Reflections (R-Free) | Percent Reflections (Observed) | R-Work | R-Free | R-Free Selection Details | Mean Isotropic B | |||||||
X-RAY DIFFRACTION | THROUGHOUT | 2.8 | 30 | 2 | 44062 | 2026 | 69.8 | 0.175 | 0.212 | RANDOM | 45.3 |
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] | |
6.7 | 6.7 | -13.4 |
RMS Deviations | |
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Key | Refinement Restraint Deviation |
o_dihedral_angle_d | 20.1 |
o_scangle_it | 2.51 |
o_mcangle_it | 2.13 |
o_scbond_it | 1.53 |
o_angle_deg | 1.47 |
o_mcbond_it | 1.2 |
o_improper_angle_d | 0.85 |
o_bond_d | 0.01 |
o_bond_d_na | |
o_bond_d_prot |
Non-Hydrogen Atoms Used in Refinement | |
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Non-Hydrogen Atoms | Number |
Protein Atoms | 5083 |
Nucleic Acid Atoms | |
Solvent Atoms | 12 |
Heterogen Atoms | 456 |
Software
Software | |
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Software Name | Purpose |
DENZO | data reduction |
SCALEPACK | data scaling |
SHARP | phasing |