7LZ3
Computational design of constitutively active cGAS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-03-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97741 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.238, 106.363, 75.667 |
| Unit cell angles | 90.00, 91.13, 90.00 |
Refinement procedure
| Resolution | 47.230 - 2.180 |
| R-factor | 0.2135 |
| Rwork | 0.211 |
| R-free | 0.26460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.456 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_3500) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.230 | 2.240 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.103 | |
| Number of reflections | 38992 | 2875 |
| <I/σ(I)> | 7.2 | 1.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.6 | 4.5 |
| CC(1/2) | 0.992 | 0.633 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.45 M potassium thiocyanate, 0.1 M Bis-Tris propane pH 7.0, and 20% PEG 3350 |
