7WVM
The complex structure of PD-1 and cemiplimab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 131.545, 131.545, 124.338 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.060 - 3.400 |
| R-factor | 0.2487 |
| Rwork | 0.247 |
| R-free | 0.28740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ggu 6ktr |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.685 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13-2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.520 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.200 | 0.658 |
| Number of reflections | 17566 | 1721 |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Sodium acetate, pH 5.0, 5% w/v PGA (Na+ form, LM), 20% w/v PEG 2000 MME |
