8IMF
Human cGAS catalytic domain bound with baicalein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 213.367, 45.981, 87.183 |
| Unit cell angles | 90.00, 113.42, 90.00 |
Refinement procedure
| Resolution | 35.882 - 2.400 |
| R-factor | 0.2304 |
| Rwork | 0.228 |
| R-free | 0.26980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.591 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.6.1) |
| Refinement software | PHENIX (1.12) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.969 | 0.081 | 1.175 |
| Total number of observations | 207453 | ||
| Number of reflections | 31048 | 2981 | 2983 |
| <I/σ(I)> | 3.9 | ||
| Completeness [%] | 99.9 | 99.6 | 100 |
| Redundancy | 3.5 | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 18-20% V/V PEG 3350, 0.2 M AMMONIUM CITRATE |
