5JD6
Crystal structure of MGS-MChE2, an alpha/beta hydrolase enzyme from the metagenome of sediments from the lagoon of Mar Chica, Morocco
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 | 2014-02-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 78.968, 78.968, 78.384 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.848 - 2.463 |
| R-factor | 0.2125 |
| Rwork | 0.211 |
| R-free | 0.24520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cr6 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.959 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.848 | 2.510 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.036 | 0.578 |
| Number of reflections | 10194 | |
| <I/σ(I)> | 35.92 | |
| Completeness [%] | 96.5 | 99.2 |
| Redundancy | 6.8 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2 M ammonium sulphate, 5% isopropanol. Cryoprotectant: paratone-N oil. |
