4ZQK
Structure of the complex of human programmed death-1 (PD-1) and its ligand PD-L1.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 193 |
| Detector technology | PIXEL |
| Collection date | 2015-04-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91843 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 70.862, 70.862, 114.367 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 61.370 - 2.450 |
| R-factor | 0.2092 |
| Rwork | 0.207 |
| R-free | 0.25270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | chain A -3BIK chain B 3RRQ |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.768 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.370 | 2.550 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.043 | 0.480 |
| Number of reflections | 12737 | |
| <I/σ(I)> | 35.22 | 5.21 |
| Completeness [%] | 100.0 | 99.92 |
| Redundancy | 10.6 | 11.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 0.1 M BIS-Tris pH 5.5, 1.84 M ammonium sulfate |
