8OED
Aspergillus niger ferulic acid decarboxylase (Fdc) S145C-P289C (DB2) variant in complex with prenylated flavin hydroxylated at the C1 prime position
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 | 2021-09-11 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 95.879, 63.995, 87.708 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 87.710 - 1.370 |
R-factor | 0.15152 |
Rwork | 0.151 |
R-free | 0.16600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.748 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.710 | 1.390 |
High resolution limit [Å] | 1.370 | 1.370 |
Number of reflections | 1458231 | 4387 |
<I/σ(I)> | 10.9 | |
Completeness [%] | 98.0 | |
Redundancy | 12.9 | |
CC(1/2) | 1.000 | 0.300 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | BIS-TRIS propane, potassium thiocyanate, PEG 3350 |