6LRJ
Human cGAS catalytic domain bound with compound 23
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 | 2019-01-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 214.825, 47.072, 87.020 |
| Unit cell angles | 90.00, 113.55, 90.00 |
Refinement procedure
| Resolution | 43.509 - 3.000 |
| R-factor | 0.2101 |
| Rwork | 0.208 |
| R-free | 0.25950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lev |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.516 |
| 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 | 2.640 |
| High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
| Rmerge | 0.143 | 0.065 | 1.391 |
| Rmeas | 0.161 | 0.073 | 1.562 |
| Rpim | 0.071 | 0.032 | 0.695 |
| Total number of observations | 116042 | ||
| Number of reflections | 24097 | 1294 | 1196 |
| <I/σ(I)> | 6.5 | ||
| Completeness [%] | 96.9 | 96.5 | 98.4 |
| Redundancy | 4.8 | 4.8 | 4.8 |
| CC(1/2) | 0.992 | 0.630 |
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) |
