5J8O
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 PILATUS3 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 34.313, 55.182, 141.773 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.260 - 2.300 |
| R-factor | 0.2445 |
| Rwork | 0.241 |
| R-free | 0.30520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5c3t |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.878 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.260 | |
| High resolution limit [Å] | 2.300 | |
| Rmerge | 0.093 | 0.465 |
| Number of reflections | 12626 | |
| <I/σ(I)> | 12.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.2 M ammonium formate and 20% (w/v) PEG 3350 |
