8VCU
Crystal structure of the oligomeric rMcL-1 in complex with lactulose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 101 |
| Detector technology | PIXEL |
| Collection date | 2023-08-17 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.818, 64.626, 69.376 |
| Unit cell angles | 94.28, 103.90, 107.94 |
Refinement procedure
| Resolution | 41.600 - 1.770 |
| R-factor | 0.1861 |
| Rwork | 0.185 |
| R-free | 0.22930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.302 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.114 | 0.342 |
| Number of reflections | 111123 | 3205 |
| <I/σ(I)> | 19.8 | 3.4 |
| Completeness [%] | 99.2 | 97.1 |
| Redundancy | 5.2 | 2.7 |
| CC(1/2) | 0.756 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291.15 | 0.2 M Potassium thiocyanate, 0.1 M Bis Tris propane, 20% w/v PEG 3350 |
