5J89
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass 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 | 2015-08-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.834, 85.093, 161.772 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.547 - 2.200 |
| R-factor | 0.2051 |
| Rwork | 0.202 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5c3t |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.005 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.550 | 2.279 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.050 | 0.272 |
| Number of reflections | 29405 | |
| <I/σ(I)> | 23 | 6.3 |
| Completeness [%] | 99.3 | 99 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.01M Tris pH=8.5, 0.3M sodium chloride, 27% (w/v) PEG 4000 |
