5JD3
Crystal structure of LAE5, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.591, 129.452, 129.848 |
| Unit cell angles | 90.00, 97.49, 90.00 |
Refinement procedure
| Resolution | 29.725 - 2.300 |
| R-factor | 0.1864 |
| Rwork | 0.184 |
| R-free | 0.23590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rjt |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.684 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MrBUMP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.725 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.125 | 0.543 |
| Number of reflections | 93738 | |
| <I/σ(I)> | 9.86 | |
| Completeness [%] | 96.9 | 93.4 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M Tris pH 8.5, 0.2 M ammonium sulfate, 25% (w/v) PEG3350, 1/70 chymotrypsin |
