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 |