5N2F
Structure of PD-L1/small-molecule inhibitor complex
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 | 2016-10-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 51.815, 52.379, 111.526 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.837 - 1.700 |
| R-factor | 0.1925 |
| Rwork | 0.191 |
| R-free | 0.22970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5c3t |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.025 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.840 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.026 | 0.502 |
| Number of reflections | 12071 | |
| <I/σ(I)> | 33.3 | 2.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.5 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.01 M Tris pH 8.4 , 0.28 M sodium chloride, 27% (w/v) PEG 4000 |
