6T92
NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex of N120C mutant protein with the reduced form of the cofactor NADH and the substrate formate at a secondary site.
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 | 50.731, 94.606, 94.614 |
| Unit cell angles | 85.63, 89.88, 81.62 |
Refinement procedure
| Resolution | 63.930 - 1.120 |
| Rwork | 0.207 |
| R-free | 0.22760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dna |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.920 |
| 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] | 63.930 | 1.140 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Number of reflections | 548213 | 17604 |
| <I/σ(I)> | 5.7 | 0.8 |
| Completeness [%] | 82.1 | 53.2 |
| Redundancy | 1.7 | 1.4 |
| CC(1/2) | 0.998 | 0.291 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 291 | 0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 7.5, 10 % w/v PEG 1000, 10 % w/v PEG 8000 |
