8ZNL
PD-L1 de novo designed binder with picomolar binding affinity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-26 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.872, 58.956, 63.299 |
| Unit cell angles | 92.52, 90.02, 94.80 |
Refinement procedure
| Resolution | 30.460 - 1.770 |
| R-factor | 0.2045 |
| Rwork | 0.201 |
| R-free | 0.27460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.832 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.460 | 1.833 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.153 | 0.543 |
| Rmeas | 0.189 | 0.673 |
| Rpim | 0.110 | 0.393 |
| Number of reflections | 60509 | 6050 |
| <I/σ(I)> | 4.26 | 2.12 |
| Completeness [%] | 96.0 | 95.56 |
| Redundancy | 2.7 | 2.8 |
| CC(1/2) | 0.970 | 0.673 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | buffer containing 0.03M Sodium fluoride; 0.03M Sodium bromide; 0.03M Sodium iodide; 0.1 M (Imidazole/MES) pH6.5, 12.5% v/v MPD; 12.5% PEG1000; 12.5% w/v PEG 3350. |
