5JD4
Crystal structure of LAE6 Ser161Ala mutant, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-06-26 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.275, 90.098, 110.760 |
| Unit cell angles | 68.02, 79.60, 67.57 |
Refinement procedure
| Resolution | 24.950 - 2.050 |
| R-factor | 0.169 |
| Rwork | 0.169 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1evq |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.730 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | BALBES |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.952 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.072 | 0.606 |
| Number of reflections | 177343 | |
| <I/σ(I)> | 21.66 | 2.52 |
| Completeness [%] | 94.9 | 91.2 |
| Redundancy | 3 | 2.9 |
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. Cryoprotectant: 12% glycerol and paratone-N oil. |
