8EAA
NKG2D complexed with inhibitor 4e
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 | 100.013, 43.338, 67.109 |
| Unit cell angles | 90.00, 106.49, 90.00 |
Refinement procedure
| Resolution | 32.030 - 1.570 |
| R-factor | 0.1735 |
| Rwork | 0.172 |
| R-free | 0.20380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mpu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.899 |
| 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] | 64.350 | 64.400 | 1.600 |
| High resolution limit [Å] | 1.570 | 4.260 | 1.570 |
| Rmeas | 0.063 | 0.058 | 0.170 |
| Rpim | 0.034 | 0.031 | 0.110 |
| Total number of observations | 117470 | 6839 | 2870 |
| Number of reflections | 37722 | 2030 | 1491 |
| <I/σ(I)> | 13.1 | 21.3 | 4.2 |
| Completeness [%] | 97.3 | 99.6 | 76.3 |
| Redundancy | 3.1 | 3.4 | 1.9 |
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 |
