6T94
NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex of N120C mutant protein with the reduced form of the cofactor NADH.
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 | 50.730, 94.745, 94.604 |
| Unit cell angles | 85.96, 89.97, 81.58 |
Refinement procedure
| Resolution | 68.900 - 1.150 |
| Rwork | 0.196 |
| R-free | 0.21790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dna |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.812 |
| 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] | 68.900 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Number of reflections | 536693 | 25189 |
| <I/σ(I)> | 5.9 | 0.6 |
| Completeness [%] | 86.9 | 82.3 |
| Redundancy | 1.7 | 1.5 |
| CC(1/2) | 0.998 | 0.325 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 291 | 0.1 M Sodium cacodylate pH 6.5, 18 % w/v PEG 2000 MME |
