8RJI
HLA A*2402-NF9_5R pMHC complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-28 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.281, 77.018, 111.820 |
| Unit cell angles | 90.00, 110.58, 90.00 |
Refinement procedure
| Resolution | 54.800 - 2.300 |
| R-factor | 0.21927 |
| Rwork | 0.217 |
| R-free | 0.26524 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.447 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.800 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.156 | 1.191 |
| Rmeas | 0.168 | 1.289 |
| Rpim | 0.063 | 0.489 |
| Total number of observations | 29794 | |
| Number of reflections | 73135 | 4344 |
| <I/σ(I)> | 8 | 1.5 |
| Completeness [%] | 99.6 | |
| Redundancy | 7 | 6.9 |
| CC(1/2) | 0.996 | 0.677 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | Glycerol 15% v/v Polyethylene glycol 4000, 20% w/v Sodium Cacodylate, 0.1 M, pH 6 |
