8SE5
NKG2D complexed with inhibitor 14
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 | 2021-03-10 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.210, 43.361, 64.526 |
| Unit cell angles | 90.00, 102.87, 90.00 |
Refinement procedure
| Resolution | 34.990 - 1.430 |
| R-factor | 0.2075 |
| Rwork | 0.206 |
| R-free | 0.23070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.280 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.570 | 1.450 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.060 | 0.921 |
| Rmeas | 0.073 | 1.118 |
| Rpim | 0.040 | 0.623 |
| Total number of observations | 138684 | 2047 |
| Number of reflections | 41857 | 760 |
| <I/σ(I)> | 9.4 | 1 |
| Completeness [%] | 83.4 | |
| Redundancy | 3.3 | 2.7 |
| CC(1/2) | 0.987 | 0.492 |
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 |
