1JJI
The Crystal Structure of a Hyper-thermophilic Carboxylesterase from the Archaeon Archaeoglobus fulgidus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-10-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 62 |
| Unit cell lengths | 169.050, 169.050, 104.544 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.200 |
| R-factor | 0.203 * |
| Rwork | 0.203 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1evq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.450 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.061 | 0.361 * |
| Total number of observations | 920049 * | |
| Number of reflections | 84834 | |
| <I/σ(I)> | 21.7 | 2.94 |
| Completeness [%] | 98.5 | 84.7 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 * | 293 | Peg 4000, Magnesium acetate, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 25 (mM) | pH8.3 |
| 2 | 1 | drop | 2.5 (mM) | ||
| 3 | 1 | drop | EDTA | 0.5 (mM) | |
| 4 | 1 | drop | protein | 8 (mg/ml) | |
| 5 | 1 | reservoir | PEG4000 | 15 (%(w/v)) | |
| 6 | 1 | reservoir | magnesium acetate | 0.3 (M) | |
| 7 | 1 | reservoir | sodium HEPES | 0.1 (M) | pH7.5 |
