8BHH
The crystal structure of a feruloyl esterase C from Fusarium oxysporum in complex with p-coumaric acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.704, 89.637, 116.978 |
| Unit cell angles | 90.00, 103.99, 90.00 |
Refinement procedure
| Resolution | 113.510 - 1.690 |
| R-factor | 0.17321 |
| Rwork | 0.171 |
| R-free | 0.21680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6fat |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.831 |
| Data reduction software | AutoProcess |
| Data scaling software | AutoProcess |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 113.510 | 1.835 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Number of reflections | 105053 | 5255 |
| <I/σ(I)> | 14.4 | |
| Completeness [%] | 69.5 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.999 | 0.594 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | PEG400, Tris HCl pH 8.5 |
