3N7U
NAD-dependent formate dehydrogenase from higher-plant Arabidopsis thaliana in complex with NAD and azide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | KURCHATOV SNC BEAMLINE K4.4 |
| Synchrotron site | KURCHATOV SNC |
| Beamline | K4.4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.99 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 229.620, 217.680, 139.110 |
| Unit cell angles | 90.00, 92.62, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.000 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.639 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.990 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.075 | 0.328 |
| Number of reflections | 428654 | 42823 |
| <I/σ(I)> | 8.93 | 2.6 |
| Completeness [%] | 93.6 | 87.9 |
| Redundancy | 2.1 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Protein solution (2ml): 14 mg/ml FDH, 0.1M Na2HPO4, pH 7.0, 10 mM EDTA, 5mM sodium azide, 5mM NAD. Reservoir solution (2ml): 0.1M Bis-Tris, pH 5.5, 2.1M Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
