8IYB
Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii
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 | 2021-07-17 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.348, 65.494, 95.293 |
| Unit cell angles | 90.00, 96.72, 90.00 |
Refinement procedure
| Resolution | 47.320 - 1.500 |
| R-factor | 0.1239 |
| Rwork | 0.121 |
| R-free | 0.16880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8iy8 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.754 |
| 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 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.030 | 0.153 |
| Rmeas | 0.033 | 0.181 |
| Number of reflections | 71862 | 33874 |
| <I/σ(I)> | 27.35 | 5.89 |
| Completeness [%] | 98.2 | 89.5 |
| Redundancy | 4.38 | 3.22 |
| CC(1/2) | 1.000 | 0.978 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.2 M ammonium acetate, 0.1 M sodium acetate, 30% (w/v) PEG 4000, 10mM ferulic acid |
