1GT7
L-rhamnulose-1-phosphate aldolase from Escherichia coli
X-RAY DIFFRACTION
Crystallization
Crystalization Experiments | ||||
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ID | Method | pH | Temperature | Details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | HANGING DROP CONTAINED 5 MG/ML PROTEIN, 5 MM PGH, 0.9 M SODIUM FORMATE, 5 MM MERCAPTOETHANOL, 0.5 MM ZNCL2 AND 0.1 M SODIUM ACETATE (PH 4.6). RESERVOIR CONTAINED 1.8 M SODIUM FORMATE, 5 MM MERCAPTOETHANOL AND 0.1 M SODIUM ACETATE (PH 4.6) |
Crystal Properties | |
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Matthews coefficient | Solvent content |
3.5 | 65 |
Crystal Data
Unit Cell | |
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Length ( Å ) | Angle ( ˚ ) |
a = 225.76 | α = 90 |
b = 225.76 | β = 90 |
c = 285.645 | 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 | IMAGE PLATE | MARRESEARCH | M | SINGLE WAVELENGTH |
Radiation Source | |||||
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ID # | Source | Type | Wavelength List | Synchrotron Site | Beamline |
1 | SYNCHROTRON | EMBL/DESY, HAMBURG BEAMLINE X11 | EMBL/DESY, HAMBURG | X11 |
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 | 2.7 | 45 | 90.7 | 0.089 | 7.8 | 2.9 | 207606 |
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 | 2.7 | 2.77 | 89.8 | 0.367 | 2.1 | 2.6 |
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-Work | R-Free | R-Free Selection Details | Mean Isotropic B | ||||||||
X-RAY DIFFRACTION | SIR | THROUGHOUT | 2.7 | 44 | 207386 | 1036 | 90.3 | 0.233 | 0.235 | RANDOM |
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] | |
Non-Hydrogen Atoms Used in Refinement | |
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Non-Hydrogen Atoms | Number |
Protein Atoms | 42480 |
Nucleic Acid Atoms | |
Solvent Atoms | 3480 |
Heterogen Atoms | 220 |
Software
Software | |
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Software Name | Purpose |
DM | model building |
SCALA | data scaling |
SCALEIT | phasing |
MLPHARE | phasing |
GETAX | phasing |
DM | phasing |
REFMAC | refinement |