8VCO
Crystal structure of rMcL-1 in complex with N-acetyl-D-galactosamine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 101 |
| Detector technology | PIXEL |
| Collection date | 2023-05-11 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 73.951, 64.157, 75.694 |
| Unit cell angles | 90.00, 115.68, 90.00 |
Refinement procedure
| Resolution | 34.110 - 1.660 |
| R-factor | 0.1523 |
| Rwork | 0.151 |
| R-free | 0.18180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.358 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.21rc1_5156) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.220 | 1.690 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.046 | 0.564 |
| Number of reflections | 37624 | 1740 |
| <I/σ(I)> | 23.3 | |
| Completeness [%] | 99.6 | |
| Redundancy | 7.3 |
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 |
