3LE7
Crystal structure of PD-L1 from P. dioica in complex with adenine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 149.323, 32.159, 112.295 |
| Unit cell angles | 90.00, 128.29, 90.00 |
Refinement procedure
| Resolution | 9.970 - 1.650 |
| R-factor | 0.214 |
| Rwork | 0.213 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h5k |
| RMSD bond length | 0.037 |
| RMSD bond angle | 2.604 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | Il (Milione) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.090 | 0.070 |
| Number of reflections | 56763 | |
| <I/σ(I)> | 6.7 | 2 |
| Completeness [%] | 92.8 | 85.3 |
| Redundancy | 4.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.16M sodium acetate trihydrate, 0.1M sodium cacodylate, 24% PEG8000, 3mM Adenine, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
