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 |