8EA6
NKG2D complexed with inhibitor 3e
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 | 2020-10-09 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.635, 44.675, 64.953 |
| Unit cell angles | 90.00, 106.18, 90.00 |
Refinement procedure
| Resolution | 33.900 - 1.730 |
| R-factor | 0.1876 |
| Rwork | 0.186 |
| R-free | 0.21450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mpu |
| 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] | 40.550 | 40.560 | 1.760 |
| High resolution limit [Å] | 1.730 | 4.690 | 1.730 |
| Rmeas | 0.104 | 0.047 | 1.444 |
| Rpim | 0.056 | 0.025 | 0.774 |
| Total number of observations | 98015 | 5519 | 4716 |
| Number of reflections | 29231 | 1538 | 1389 |
| <I/σ(I)> | 7.2 | 20.4 | 1 |
| Completeness [%] | 99.8 | 99.9 | 96.9 |
| Redundancy | 3.4 | 3.6 | 3.4 |
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 |
