6JBT
Complex structure of toripalimab-Fab and PD-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-05-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97893 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.768, 64.197, 78.722 |
| Unit cell angles | 90.00, 113.36, 90.00 |
Refinement procedure
| Resolution | 47.175 - 2.470 |
| R-factor | 0.2028 |
| Rwork | 0.201 |
| R-free | 0.25170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wt9 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.771 |
| 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 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.148 | 0.502 |
| Number of reflections | 23760 | 2321 |
| <I/σ(I)> | 4.76 | |
| Completeness [%] | 91.7 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 277 | 0.09 M Halogens consisting of NaF, NaBr and NaI additives, 0.1 M Tris-Base (pH8.5), 37.5% (v/v) MPD-P1K-P3350 consisting of MPD (racemic), PEG 1K and PEG 3350 |
