7FI5
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 | 123.379, 123.379, 180.834 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.831 - 2.390 |
| R-factor | 0.1977 |
| Rwork | 0.195 |
| R-free | 0.25760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hyr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.501 |
| 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] | 19.831 | 19.640 | 2.480 |
| High resolution limit [Å] | 2.390 | 8.930 | 2.390 |
| Rmerge | 0.086 | 0.033 | 1.809 |
| Rmeas | 0.088 | 0.034 | 1.867 |
| Rpim | 0.018 | 0.007 | 0.443 |
| Total number of observations | 10960 | 45106 | |
| Number of reflections | 27866 | 550 | 2715 |
| <I/σ(I)> | 26.5 | 89.3 | 1.6 |
| Completeness [%] | 99.1 | 90.8 | 93.5 |
| Redundancy | 24.6 | 19.9 | 16.6 |
| CC(1/2) | 1.000 | 1.000 | 0.531 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 2.2 M Sodium chloride, 0.1 M Tris pH 8.5 |
