2OIW
The structure of a predicted thioesterase from Bacillus stearothermophilus
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-22 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.97911, 0.97925 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 76.521, 93.051, 75.844 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.520 - 2.000 |
| R-factor | 0.17847 |
| Rwork | 0.176 |
| R-free | 0.23260 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.433 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.520 | 2.052 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 32522 | |
| <I/σ(I)> | 7.4 | 3.3 |
| Completeness [%] | 91.9 | 67.72 |
| Redundancy | 5.8 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 291 | 0.1M TRIS-HCl pH 8.6, 0.2M MgCl2, 30% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
