Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 96.238, 96.238, 262.701 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 83.340 - 2.771 |
| R-factor | 0.226 |
| Rwork | 0.224 |
| R-free | 0.26370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.850 |
| Data reduction software | XDS (version 2022) |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.345 | 2.968 |
| High resolution limit [Å] | 2.771 | 2.771 |
| Rmerge | 0.304 | 3.103 |
| Rmeas | 0.313 | 3.192 |
| Rpim | 0.071 | 0.741 |
| Number of reflections | 14845 | 742 |
| <I/σ(I)> | 9.4 | 1.5 |
| Completeness [%] | 77.5 | 21.5 |
| Redundancy | 18.8 | 18.3 |
| CC(1/2) | 0.998 | 0.598 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293 | protein: 0.2 ul NLRP3 (131-679) at 7 mg/ml in 50mM HEPES pH 7.8, 500mM NaCl, 10% glycerol, 1mM MgCl2, 1mM TCEP, 100uM ADP, and 0.8 mM DFV890 (in DMSO) wel: 0.2 ul 1.99M NH4 3 citrate |
