8EA7
NKG2D complexed with inhibitor 3g
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 | 2020-12-16 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.582, 43.138, 67.545 |
| Unit cell angles | 90.00, 107.42, 90.00 |
Refinement procedure
| Resolution | 39.350 - 1.280 |
| R-factor | 0.1941 |
| Rwork | 0.193 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mpu |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.851 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.350 | 1.300 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.043 | 0.664 |
| Rmeas | 0.051 | 0.910 |
| Rpim | 0.027 | 0.618 |
| Total number of observations | 187069 | 1811 |
| Number of reflections | 61420 | 1064 |
| <I/σ(I)> | 11.5 | 1 |
| Completeness [%] | 85.9 | |
| Redundancy | 3 | 1.7 |
| CC(1/2) | 0.998 | 0.571 |
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 |
