8EA9
NKG2D complexed with inhibitor 4d
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 | 2021-06-18 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.719, 43.400, 64.777 |
| Unit cell angles | 90.00, 102.83, 90.00 |
Refinement procedure
| Resolution | 32.280 - 1.580 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mpu |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.872 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.470 | 43.490 | 1.610 |
| High resolution limit [Å] | 1.580 | 4.290 | 1.580 |
| Rmeas | 0.053 | 0.039 | 0.191 |
| Rpim | 0.029 | 0.021 | 0.123 |
| Total number of observations | 114849 | 6635 | 2805 |
| Number of reflections | 36337 | 1943 | 1426 |
| <I/σ(I)> | 13.3 | 24.1 | 3.8 |
| Completeness [%] | 97.4 | 99.8 | 76 |
| Redundancy | 3.2 | 3.4 | 2 |
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 |
