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 |