9Q8L
Crystal Structure of 21A08Ap1-Fab in Complex with Human PD-1 at 1.85 angstrom Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9655 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.839, 70.241, 163.684 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.840 - 1.850 |
| Rwork | 0.178 |
| R-free | 0.21590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.777 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.840 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.106 | 1.523 |
| Rmeas | 0.110 | 1.589 |
| Rpim | 0.030 | 0.448 |
| Number of reflections | 61790 | 3730 |
| <I/σ(I)> | 13.9 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.1 | 12.4 |
| CC(1/2) | 0.999 | 0.716 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M Tris pH 8.5, 25% w/v PEG 3,350, 20% w/v MPD |
