3SBW
Crystal structure of the complex between the extracellular domains of mouse PD-1 mutant and human PD-L1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.071 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.778, 62.843, 160.863 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.420 - 2.280 |
| R-factor | 0.221 |
| Rwork | 0.218 |
| R-free | 0.27040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1npu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.421 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
| High resolution limit [Å] | 2.280 | 4.950 | 2.280 |
| Rmerge | 0.093 | 0.037 | 0.729 |
| Number of reflections | 26816 | ||
| <I/σ(I)> | 7.6 | ||
| Completeness [%] | 99.9 | 99.2 | 100 |
| Redundancy | 6.1 | 5.7 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | 0.1M Sodium citrate pH 5, 20% PEG 8000, Vapor diffusion, Sitting drop, temperature 277K |
