9I0U
Structure of human PD-L1 in complex with clinically evaluated inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03322 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 51.997, 52.405, 112.022 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.470 - 1.460 |
| Rwork | 0.161 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.470 | 1.490 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.050 | 1.360 |
| Number of reflections | 53362 | 2338 |
| <I/σ(I)> | 21 | |
| Completeness [%] | 98.9 | |
| Redundancy | 12.5 | |
| CC(1/2) | 1.000 | 0.680 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2.0M ammonium sulfate; 0.1M sodium acetate pH 4.6 |
