9BLE
Crystal structure of thermostable dienelactone hydrolase. Monoclinic space group.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRIUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRIUS |
| Beamline | MANACA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97718 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.474, 142.669, 74.887 |
| Unit cell angles | 90.00, 96.52, 90.00 |
Refinement procedure
| Resolution | 74.402 - 1.790 |
| Rwork | 0.161 |
| R-free | 0.19030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.556 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.402 | 1.556 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.121 | 4.082 |
| Rmeas | 0.137 | 4.556 |
| Rpim | 0.062 | 1.995 |
| Number of reflections | 137099 | 7226 |
| <I/σ(I)> | 6.6 | 0.5 |
| Completeness [%] | 92.3 | 98.3 |
| Redundancy | 4.7 | 5 |
| CC(1/2) | 0.997 | 0.363 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium fluoride, 0.1 M Bis-Tris propane 8.5, 20% PEG 3350 |
