9H8R
Crystal structure of Nkp46 in complex with a bicyclic peptide BCY00016132
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-01 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 61 |
| Unit cell lengths | 74.688, 74.688, 75.307 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 64.680 - 1.750 |
| R-factor | 0.20901 |
| Rwork | 0.208 |
| R-free | 0.23907 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.672 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.680 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmeas | 0.129 | 1.514 |
| Rpim | 0.029 | 0.505 |
| Number of reflections | 24029 | 1311 |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 99.6 | |
| Redundancy | 17.5 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 1.0 M Lithium sulfate, 0.1 M Tris pH 8.5, 0.01 M nickel (II) chloride hexahydrate |
