8RJH
HLA A*2402-NF9_6F 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 | C 1 2 1 |
| Unit cell lengths | 344.797, 84.336, 91.453 |
| Unit cell angles | 90.00, 102.14, 90.00 |
Refinement procedure
| Resolution | 87.000 - 2.600 |
| R-factor | 0.2262 |
| Rwork | 0.224 |
| R-free | 0.26431 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.372 |
| 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] | 87.000 | 2.650 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.179 | 1.738 |
| Rmeas | 0.193 | 1.887 |
| Rpim | 0.072 | 0.730 |
| Total number of observations | 29665 | |
| Number of reflections | 79258 | 4490 |
| <I/σ(I)> | 7.7 | 1 |
| Completeness [%] | 100.0 | |
| Redundancy | 7.1 | 6.6 |
| CC(1/2) | 0.995 | 0.465 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | Glycerol 15% v/v Polyethylene Glycol 4,000, 20% w/v MES, 0.1 M, pH7 |
