6R3G
Aspergillus niger ferulic acid decarboxylase (Fdc) E282Q variant in complex with the covalent adduct formed between prFMN cofactor and alphafluoro-cinnamic acid (Int2)
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 | 2018-08-04 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 96.132, 64.054, 87.748 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.810 - 1.130 |
| R-factor | 0.121 |
| Rwork | 0.120 |
| R-free | 0.13900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4za9 |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.980 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.810 | 1.170 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Number of reflections | 201927 | 19715 |
| <I/σ(I)> | 11.93 | 3.01 |
| Completeness [%] | 99.8 | 98.5 |
| Redundancy | 4.8 |
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 |
