8WL3
The structure of D-mandelate dehydrogenase with L243W mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL17B |
| Synchrotron site | NFPSS |
| Beamline | BL17B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-16 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.540, 130.910, 58.090 |
| Unit cell angles | 90.00, 92.58, 90.00 |
Refinement procedure
| Resolution | 45.970 - 2.000 |
| R-factor | 0.21508 |
| Rwork | 0.213 |
| R-free | 0.25074 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.311 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.970 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 40808 | 40808 |
| <I/σ(I)> | 16 | |
| Completeness [%] | 94.9 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.997 | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 0.6 M NaCl, 0.05M Tris pH 8.5, 30% Polyethylene glycol 3350 |
