6LRC
Human cGAS catalytic domain bound with the inhibitor PF-06928215
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 | 2019-05-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 207.004, 45.652, 85.875 |
| Unit cell angles | 90.00, 111.56, 90.00 |
Refinement procedure
| Resolution | 36.860 - 1.831 |
| R-factor | 0.1877 |
| Rwork | 0.186 |
| R-free | 0.21890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lev |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.859 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.6.1) |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
| High resolution limit [Å] | 1.780 | 4.830 | 1.780 |
| Rmerge | 0.110 | 0.058 | 1.181 |
| Rmeas | 0.119 | 0.064 | 1.317 |
| Rpim | 0.047 | 0.025 | 0.572 |
| Total number of observations | 456405 | ||
| Number of reflections | 71799 | 3766 | 3555 |
| <I/σ(I)> | 5.9 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 6.4 | 6.4 | 5.1 |
| CC(1/2) | 0.995 | 0.582 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 18-20% V/V PEG 3350, 0.2M AMMONIUM CITRATE (PH 7) |
