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 |