9KL2
Crystal structure of Pleurocybella porrigens lectin (PPL) in complex with GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2023-11-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.762, 221.166, 112.209 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.030 - 2.000 |
| R-factor | 0.2295 |
| Rwork | 0.228 |
| R-free | 0.24930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.463 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.1_5286)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.030 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.016 | 0.082 |
| Rpim | 0.016 | 0.082 |
| Number of reflections | 44856 | 3276 |
| <I/σ(I)> | 21.6 | 7.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 1.000 | 0.993 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 0.15M Tris, pH 9.5, 4.0M sodium nitrate, 20mM GalNAc |
