6R3L
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and cinnamic acid following decarboxylation (Int3)
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 | 2018-04-22 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 95.923, 64.219, 87.773 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 87.770 - 1.240 |
R-factor | 0.132 |
Rwork | 0.130 |
R-free | 0.16700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4za9 |
RMSD bond length | 0.026 |
RMSD bond angle | 2.357 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.770 | 1.280 |
High resolution limit [Å] | 1.240 | 1.240 |
Number of reflections | 153420 | 15174 |
<I/σ(I)> | 7.41 | 1.76 |
Completeness [%] | 99.8 | |
Redundancy | 4.3 |
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 |