9C6W
Crystal Structure of a single chain trimer composed of HLA-B*39:06 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2 (2 molecules/asymmetric unit)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.244, 84.237, 149.204 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.730 - 1.700 |
| R-factor | 0.1881 |
| Rwork | 0.187 |
| R-free | 0.21550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.800 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21rc1_5156)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.730 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.037 | 0.509 |
| Rmeas | 0.040 | 0.553 |
| Rpim | 0.016 | 0.213 |
| Total number of observations | 711734 | 35993 |
| Number of reflections | 110321 | 5380 |
| <I/σ(I)> | 22.8 | 3.5 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.5 | 6.7 |
| CC(1/2) | 1.000 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 2M Ammonuim sulfate,0.2 M Lithium sulfate, 0.1 M HEPES |
