6R32
Aspergillus niger ferrulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and phenylpropiolic acid (Int1')
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 | 95.808, 64.265, 87.726 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.700 - 1.210 |
R-factor | 0.131 |
Rwork | 0.130 |
R-free | 0.15900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4za9 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.859 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.700 | 1.250 |
High resolution limit [Å] | 1.210 | 1.210 |
Number of reflections | 164574 | 16289 |
<I/σ(I)> | 7.38 | 1.74 |
Completeness [%] | 99.7 | 99.8 |
Redundancy | 4.3 | |
CC(1/2) | 0.554 |
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 |