8IY8
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 21 21 21 |
| Unit cell lengths | 48.134, 75.659, 135.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.250 - 1.500 |
| R-factor | 0.1192 |
| Rwork | 0.117 |
| R-free | 0.16350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x6s |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.740 |
| 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 | 0.033 | 0.253 |
| Rmeas | 0.036 | 0.281 |
| Number of reflections | 79279 | 11927 |
| <I/σ(I)> | 31.45 | 4.87 |
| Completeness [%] | 98.8 | 95 |
| Redundancy | 7.03 | 5.09 |
| CC(1/2) | 1.000 | 0.950 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | Ammonium acetate, sodium acetate, PEG 4000 |
