1R1D
Structure of a Carboxylesterase from Bacillus stearothermophilus
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 150 |
| Detector technology | CCD |
| Collection date | 2003-07-02 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.922, 81.683, 130.582 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.280 - 2.000 |
| R-factor | 0.208 |
| Rwork | 0.205 |
| R-free | 0.24500 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.300 |
| Data reduction software | d*TREK |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 27.280 |
| High resolution limit [Å] | 1.900 |
| Number of reflections | 47271 |
| Completeness [%] | 94.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | ammonium sulfate, PEG 3350, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
