8CRD
Aspergillus niger ferulic acid decarboxylase (Fdc) T40C-S315C (DB1) variant in complex with prenylated flavin hydroxylated at the C1 prime position
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 | 95.780, 64.030, 87.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.290 - 1.350 |
| R-factor | 0.15325 |
| Rwork | 0.152 |
| R-free | 0.17596 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.780 |
| 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] | 53.290 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Number of reflections | 110958 | 3493 |
| <I/σ(I)> | 13.7 | |
| Completeness [%] | 93.5 | 59.6 |
| Redundancy | 13.3 | 10.6 |
| 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 |
