8JH8
Structure-based characterization and improvement of an enzymatic activity of Acremonium alcalophilum feruloyl esterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-23 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.516, 37.738, 77.709 |
| Unit cell angles | 90.00, 125.93, 90.00 |
Refinement procedure
| Resolution | 37.780 - 1.550 |
| R-factor | 0.1525 |
| Rwork | 0.149 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.734 |
| Data reduction software | XDS (Jan10, 2022) |
| Data scaling software | XDS (Jan10, 2022) |
| Phasing software | MOLREP (11.7.01) |
| Refinement software | PHENIX (1.20) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.640 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.047 | 0.293 |
| Rmeas | 0.051 | 0.345 |
| Number of reflections | 33128 | 4350 |
| <I/σ(I)> | 18.61 | 2.84 |
| Completeness [%] | 95.9 | 95.9 |
| Redundancy | 5.23 | 3.46 |
| CC(1/2) | 0.999 | 0.875 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M MgCl2, 0.1 M Tris-HCl, 30% (w/v) PEG4,000 |
