6ZE4
FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.562, 109.875, 116.113 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.380 - 1.600 |
| R-factor | 0.1722 |
| Rwork | 0.170 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ze2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.653 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP (11.6.04) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.380 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.088 | 1.009 |
| Rmeas | 0.097 | 1.108 |
| Rpim | 0.039 | 0.441 |
| Number of reflections | 147085 | 7605 |
| <I/σ(I)> | 8.7 | 1.6 |
| Completeness [%] | 93.5 | 98.5 |
| Redundancy | 5.5 | 5.7 |
| CC(1/2) | 0.998 | 0.659 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293.15 | 17 % (w/v) PEG MME 5000, 0.1 M sodium acetate, pH 5.5, 0.16 M magnesium formate, protein concentration 8 mg/ml |
