6R3J
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and crotonic acid following decarboxylation (Int3)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-20 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 96.028, 63.815, 87.742 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.740 - 1.390 |
| R-factor | 0.13806 |
| Rwork | 0.136 |
| R-free | 0.17761 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4za9 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.893 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.740 | 1.441 |
| High resolution limit [Å] | 1.390 | 1.391 |
| Number of reflections | 80423 | 2590 |
| <I/σ(I)> | 9.5 | 1.5 |
| Completeness [%] | 74.1 | 24.23 |
| Redundancy | 5.1 | 5.1 |
| CC(1/2) | 0.998 | 0.625 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M POTASSIUM THIOCYANATE, BIS-TRIS PROPANE 6.5, 20 % W/V PEG 3350 |
