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 |