6R3F
Aspergillus niger ferulic acid decarboxylase (Fdc) E282Q variant in complex with the covalent adduct formed between prFMN cofactor and cinnamic acid (Int2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-25 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 0.969 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 96.119, 64.137, 87.654 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 87.650 - 1.250 |
R-factor | 0.13677 |
Rwork | 0.135 |
R-free | 0.16980 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4za9 |
RMSD bond length | 0.035 |
RMSD bond angle | 2.753 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.650 | 1.282 |
High resolution limit [Å] | 1.250 | 1.250 |
Number of reflections | 108947 | 2255 |
<I/σ(I)> | 10.1 | 1.8 |
Completeness [%] | 76.6 | |
Redundancy | 11.3 | |
CC(1/2) | 0.996 | 0.581 |
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 |