6R2T
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with prFMN (purified in the radical form) and phenylpropiolic acid
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 | 2017-03-05 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 95.830, 64.190, 87.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.230 - 1.290 |
| R-factor | 0.15486 |
| Rwork | 0.154 |
| R-free | 0.17686 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4za9 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.798 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.230 | 1.336 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.077 | 0.880 |
| Number of reflections | 130476 | 13359 |
| <I/σ(I)> | 9.76 | 1.33 |
| Completeness [%] | 95.6 | 98.8 |
| Redundancy | 3.8 | 3.5 |
| CC(1/2) | 0.998 | 0.519 |
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 |
