6R30
Aspergillus niger ferulic acid decarboxylase (Fdc) L439G variant 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 | 96.010, 64.370, 87.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.930 - 1.120 |
R-factor | 0.12556 |
Rwork | 0.124 |
R-free | 0.15046 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4za9 |
RMSD bond length | 0.018 |
RMSD bond angle | 2.031 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.930 | 1.160 |
High resolution limit [Å] | 1.120 | 1.120 |
Number of reflections | 207057 | 20237 |
<I/σ(I)> | 7.95 | 1.32 |
Completeness [%] | 99.3 | |
Redundancy | 4.3 | |
CC(1/2) | 0.997 | 0.590 |
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 |