9C6V
Crystal Structure of a single chain trimer composed of HLA-B*39:06 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2 (1 molecule/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 | C 2 2 21 |
Unit cell lengths | 74.954, 83.450, 148.638 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.770 - 1.700 |
R-factor | 0.1971 |
Rwork | 0.196 |
R-free | 0.21940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.856 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21rc1_5156: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.770 | 1.710 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.046 | 0.585 |
Rmeas | 0.050 | 0.649 |
Rpim | 0.020 | 0.274 |
Total number of observations | 291767 | 14117 |
Number of reflections | 52030 | 2698 |
<I/σ(I)> | 16 | 1.5 |
Completeness [%] | 97.7 | |
Redundancy | 5.6 | 5.2 |
CC(1/2) | 0.999 | 0.837 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 3350, 0.2 M Potassium sulfate |