13FL
Structure of FabS1CE2_P2a in complex with the N-terminal domain of PD-L1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2026-02-10 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97935 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 66.358, 239.679, 104.282 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.410 - 2.220 |
| R-factor | 0.2007 |
| Rwork | 0.199 |
| R-free | 0.23860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.064 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.412 | 2.282 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.235 | 1.879 |
| Rmeas | 0.266 | 2.095 |
| Rpim | 0.122 | 0.922 |
| Number of reflections | 27786 | 1389 |
| <I/σ(I)> | 8.3 | 1.4 |
| Completeness [%] | 90.9 | 74.2 |
| Redundancy | 8.8 | 8.8 |
| CC(1/2) | 0.995 | 0.213 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 295 | 5.5M Sodium Formate, 0.1M Sodium Acetate trihydrate pH4.6, final pH 5.8, cryoprotected in paratone oil |
