7FI6
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 | 2020-12-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 123.600, 123.600, 180.769 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.910 - 2.900 |
| R-factor | 0.1963 |
| Rwork | 0.193 |
| R-free | 0.26170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hyr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.511 |
| Data reduction software | MOSFLM |
| 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] | 90.380 | 90.380 | 3.080 |
| High resolution limit [Å] | 2.900 | 8.700 | 2.900 |
| Rmerge | 0.360 | 0.086 | 2.653 |
| Rmeas | 0.368 | 0.088 | 2.707 |
| Rpim | 0.074 | 0.020 | 0.539 |
| Total number of observations | 382274 | 13596 | 64244 |
| Number of reflections | 15918 | 675 | 2538 |
| <I/σ(I)> | 12 | 24.8 | 2.8 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 24 | 20.1 | 25.3 |
| CC(1/2) | 0.995 | 0.996 | 0.755 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 2.7 M Sodium chloride, 0.1 M Tris pH 8.7 |
