7FI8
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 BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 121.481, 121.481, 102.063 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.971 - 2.800 |
| R-factor | 0.2075 |
| Rwork | 0.204 |
| R-free | 0.26690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hyr |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.689 |
| 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] | 19.971 | 19.860 | 2.950 |
| High resolution limit [Å] | 2.800 | 8.860 | 2.800 |
| Rmerge | 0.251 | 0.048 | 2.458 |
| Rmeas | 0.256 | 0.050 | 2.506 |
| Rpim | 0.050 | 0.011 | 0.481 |
| Total number of observations | 13065 | 73306 | |
| Number of reflections | 19323 | 640 | 2762 |
| <I/σ(I)> | 15.7 | 49.7 | 1.9 |
| Completeness [%] | 99.7 | 91.6 | 99.7 |
| Redundancy | 25.7 | 20.4 | 26.5 |
| CC(1/2) | 0.998 | 0.999 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 0.6 M Potassium sodium tartrate tetrahydrate, 0.1 M Tris pH 8.7, 1% Glycerol |
