6T8Y
NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex 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 | 50.568, 94.756, 94.604 |
Unit cell angles | 85.59, 89.93, 81.61 |
Refinement procedure
Resolution | 46.774 - 1.260 |
Rwork | 0.169 |
R-free | 0.19310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dna |
RMSD bond length | 0.012 |
RMSD bond angle | 1.766 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.060 | 1.280 |
High resolution limit [Å] | 1.260 | 1.260 |
Number of reflections | 407315 | 11117 |
<I/σ(I)> | 7.6 | |
Completeness [%] | 87.0 | 48.1 |
Redundancy | 1.7 | 1.5 |
CC(1/2) | 0.999 | 0.215 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 291 | 0.1 M Bis-Tris, pH 6.5, 20% w/v PEG 5000 MME, 2.5 mM NAD+ |