6NNV
PD-L1 IgV domain complex with macro-cyclic peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-02-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.840, 61.683, 80.895 |
| Unit cell angles | 90.00, 90.17, 90.00 |
Refinement procedure
| Resolution | 29.099 - 1.920 |
| R-factor | 0.2176 |
| Rwork | 0.215 |
| R-free | 0.25310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bik |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.046 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.960 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.088 | 0.338 |
| Rmeas | 0.105 | 0.415 |
| Rpim | 0.055 | 0.237 |
| Number of reflections | 41912 | 2469 |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 96.3 | 92.3 |
| Redundancy | 3.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 291 | 0.056 M sodium phosphate monobasic, 1.344 M potassium phosphate dibasic |
