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 |