8P64
Co-crystal structure of PD-L1 with low molecular weight inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 73.450, 73.450, 96.080 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.336 - 3.312 |
| Rwork | 0.234 |
| R-free | 0.29710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.744 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.040 | 3.510 |
| High resolution limit [Å] | 3.310 | 3.310 |
| Number of reflections | 4743 | 743 |
| <I/σ(I)> | 9.39 | 0.96 |
| Completeness [%] | 99.9 | |
| Redundancy | 10.55 | |
| CC(1/2) | 0.997 | 0.423 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.2 M S38 sodium citrate tribasic dihydrate 0.01 M sodium borate, pH 8.5 |
