8SE6
NKG2D complexed with inhibitor 36
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-23 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.041, 43.483, 64.188 |
| Unit cell angles | 90.00, 102.87, 90.00 |
Refinement procedure
| Resolution | 43.440 - 1.360 |
| R-factor | 0.1948 |
| Rwork | 0.194 |
| R-free | 0.21080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.910 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.580 | 1.380 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.050 | 0.778 |
| Rmeas | 0.059 | 0.972 |
| Rpim | 0.032 | 0.573 |
| Total number of observations | 172740 | 3361 |
| Number of reflections | 52859 | 1395 |
| <I/σ(I)> | 9.9 | 1 |
| Completeness [%] | 91.1 | |
| Redundancy | 3.3 | 2.4 |
| CC(1/2) | 0.999 | 0.713 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.15 - 0.22 M NaNO3, 20- 31 % (w/v) PEG 3350 |
