8OEH
Aspergillus niger ferulic acid decarboxylase (Fdc) C122-S261C (DB3) variant in complex with prenylated flavin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 95.640, 63.040, 87.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.870 - 1.770 |
| R-factor | 0.19563 |
| Rwork | 0.193 |
| R-free | 0.23694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.550 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0026) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.820 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Number of reflections | 53016 | 2614 |
| <I/σ(I)> | 5.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13.6 | |
| CC(1/2) | 1.000 | 0.300 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | BIS-TRIS propane, potassium thiocyanate, PEG 3350 |
