9C6X
Crystal Structure of a single chain trimer composed of HLA-B*39:01 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-26 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9201 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 75.939, 84.123, 150.421 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.830 - 1.700 |
R-factor | 0.2036 |
Rwork | 0.202 |
R-free | 0.23210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.815 |
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] | 24.830 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.076 | 0.550 |
Rmeas | 0.081 | 0.590 |
Rpim | 0.030 | 0.212 |
Total number of observations | 390887 | 21518 |
Number of reflections | 53287 | 2822 |
<I/σ(I)> | 14.2 | 3.3 |
Completeness [%] | 99.9 | |
Redundancy | 7.3 | 7.6 |
CC(1/2) | 0.998 | 0.857 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 25% PEG 3350 and 0.1 M Tris |