8Z6Z
Medium-chain dehydrogenase/reductase MrADH-WT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 150 |
| Detector technology | PIXEL |
| Collection date | 2023-03-06 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 96.120, 96.120, 199.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.280 - 2.590 |
| R-factor | 0.19965 |
| Rwork | 0.198 |
| R-free | 0.24041 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.354 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | PROTEUM PLUS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.280 | 2.710 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.176 | 1.066 |
| Rpim | 0.076 | 0.518 |
| Number of reflections | 17662 | 2091 |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289.2 | Tris-HCl, PEG 4000 |
