7FI7
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 | 2020-12-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 124.254, 124.254, 184.676 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.830 - 2.780 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.24590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hyr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.594 |
| 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] | 19.835 | 19.830 | 2.930 |
| High resolution limit [Å] | 2.780 | 8.790 | 2.780 |
| Rmerge | 0.129 | 0.032 | 1.146 |
| Rmeas | 0.132 | 0.033 | 1.168 |
| Rpim | 0.026 | 0.007 | 0.224 |
| Total number of observations | 13269 | 71213 | |
| Number of reflections | 18507 | 602 | 2654 |
| <I/σ(I)> | 23.7 | 83.2 | 3.6 |
| Completeness [%] | 99.7 | 91.2 | 100 |
| Redundancy | 25.7 | 22 | 26.8 |
| CC(1/2) | 0.999 | 1.000 | 0.907 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 0.1 M HEPES pH 7.5, 2.25 M Ammonium formate |
