8EA8
NKG2D complexed with inhibitor 4a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-25 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.090, 43.675, 72.591 |
Unit cell angles | 90.00, 125.01, 90.00 |
Refinement procedure
Resolution | 37.250 - 1.770 |
R-factor | 0.1636 |
Rwork | 0.162 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mpu |
Data reduction software | DIALS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.460 | 59.490 | 1.800 |
High resolution limit [Å] | 1.770 | 4.800 | 1.770 |
Rmeas | 0.068 | 0.045 | 0.236 |
Rpim | 0.037 | 0.024 | 0.129 |
Total number of observations | 82281 | 4516 | 2619 |
Number of reflections | 24445 | 1332 | 912 |
<I/σ(I)> | 12.2 | 20.1 | 4.4 |
Completeness [%] | 96.7 | 99.8 | 74.8 |
Redundancy | 3.4 | 3.4 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.15 - 0.22 M NaNO3, 20- 31 % (w/v) PEG 3350 |