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 |