7KXS
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 | 2018-06-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.023, 109.349, 77.004 |
| Unit cell angles | 90.00, 91.36, 90.00 |
Refinement procedure
| Resolution | 48.010 - 2.600 |
| R-factor | 0.2132 |
| Rwork | 0.209 |
| R-free | 0.26140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in-house model |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.570 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.010 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.108 | 1.283 |
| Number of reflections | 24481 | 2421 |
| <I/σ(I)> | 7.17 | 0.9 |
| Completeness [%] | 99.6 | 97.12 |
| Redundancy | 3.7 | 3.4 |
| CC(1/2) | 0.993 | 0.653 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 % w/v Polyethylene glycol 3,350 200 mM Potassium thiocyanate |
