8IYC
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 | 2022-02-05 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.378, 65.258, 95.381 |
| Unit cell angles | 90.00, 97.00, 90.00 |
Refinement procedure
| Resolution | 32.630 - 1.550 |
| R-factor | 0.1365 |
| Rwork | 0.134 |
| R-free | 0.18570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8iy8 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.801 |
| 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 | 0.029 | 0.238 |
| Rmeas | 0.033 | 0.272 |
| Number of reflections | 65419 | 10051 |
| <I/σ(I)> | 26.05 | 4.61 |
| Completeness [%] | 98.2 | 93.5 |
| Redundancy | 4.51 | 4.01 |
| CC(1/2) | 1.000 | 0.955 |
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, 10 mM sinapic acid |
