5AOC
The structure of a novel thermophilic esterase from the Planctomycetes species, Thermogutta terrifontis, Est2-valerate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.991, 70.874, 75.932 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.810 - 1.790 |
| R-factor | 0.1875 |
| Rwork | 0.185 |
| R-free | 0.24096 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1evq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.460 |
| Data reduction software | DIALS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.800 | 1.900 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.090 | 1.100 |
| Number of reflections | 32257 | |
| <I/σ(I)> | 9.8 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.1 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
