6T8Z
NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A ternary complex with the oxidised form of the cofactor NAD+ and the substrate formate both at a primary and secondary sites.
This is a non-PDB format compatible entry.
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 | 2018-02-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.395, 94.515, 94.330 |
| Unit cell angles | 85.69, 89.93, 81.94 |
Refinement procedure
| Resolution | 47.030 - 1.210 |
| Rwork | 0.188 |
| R-free | 0.21070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dna |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.663 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.030 | 1.230 |
| High resolution limit [Å] | 1.210 | 1.210 |
| Number of reflections | 467507 | 22684 |
| <I/σ(I)> | 5.8 | |
| Completeness [%] | 89.1 | 87.1 |
| Redundancy | 1.8 | 1.8 |
| CC(1/2) | 0.998 | 0.250 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.5 | 291 | 0.1M Bis-Tris, pH 5.5, 25 % w/v PEG 3350, 2.5 mM NAD+ |
