8K0O
High resolution structure of Dehydroascorbate Reductase from Cenchrus Americanus in complex with Acetate in the G-site and Glycerol in the H-site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-09 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 70.389, 70.389, 111.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.240 - 1.810 |
| R-factor | 0.18489 |
| Rwork | 0.183 |
| R-free | 0.21888 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.390 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHENIX |
| Refinement software | PDB-REDO |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.850 | 1.833 |
| High resolution limit [Å] | 1.800 | 1.801 |
| Number of reflections | 26638 | 1333 |
| <I/σ(I)> | 13.4 | 2 |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 6.7 | 6.6 |
| CC(1/2) | 0.997 | 0.808 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 100mM SODIUM ACETATE TRIHYDRATE pH 4.6, 2M AMMONIUM SULFATE |
