7FI9
Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97892 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 123.808, 123.808, 181.323 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.710 - 2.160 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.23560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hyr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.640 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.710 | 19.710 | 2.230 |
| High resolution limit [Å] | 2.160 | 8.910 | 2.160 |
| Rmerge | 0.071 | 0.024 | 1.531 |
| Rmeas | 0.072 | 0.025 | 1.582 |
| Rpim | 0.014 | 0.005 | 0.381 |
| Total number of observations | 944381 | 11703 | 46675 |
| Number of reflections | 37683 | 559 | 2983 |
| <I/σ(I)> | 32.4 | 106.4 | 1.9 |
| Completeness [%] | 99.2 | 90.9 | 92.4 |
| Redundancy | 25.1 | 20.9 | 15.6 |
| CC(1/2) | 1.000 | 0.999 | 0.633 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 0.7 M Ammonium tartrate dibasic, 0.1 M Tris pH 8.5 |
