6MJW
human cGAS catalytic domain bound with the inhibitor G150
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 64 |
| Unit cell lengths | 116.531, 116.531, 60.037 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.347 - 2.405 |
| R-factor | 0.2173 |
| Rwork | 0.213 |
| R-free | 0.25720 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.546 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.350 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.055 | |
| Rmeas | 0.058 | 0.572 |
| Rpim | 0.018 | 0.227 |
| Number of reflections | 17953 | 1719 |
| <I/σ(I)> | 26.3 | 2.4 |
| Completeness [%] | 98.4 | 93.2 |
| Redundancy | 9 | 4.4 |
| CC(1/2) | 0.997 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.064 M sodium citrate 7.0, 0.1 M HEPES, pH 7.0, 10% PEG5000MME |
