7BUQ
mcGAS bound with 23-cGAMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97892 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.645, 109.812, 75.637 |
| Unit cell angles | 90.00, 94.13, 90.00 |
Refinement procedure
| Resolution | 37.720 - 3.091 |
| R-factor | 0.254 |
| Rwork | 0.249 |
| R-free | 0.29630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k96 |
| Data reduction software | HKL-2000 (V715) |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.150 |
| High resolution limit [Å] | 3.091 | 8.400 | 3.100 |
| Rmerge | 0.250 | 0.099 | 1.048 |
| Rmeas | 0.271 | 0.108 | 1.157 |
| Rpim | 0.104 | 0.042 | 0.482 |
| Number of reflections | 14136 | 727 | 729 |
| <I/σ(I)> | 3.5 | ||
| Completeness [%] | 99.6 | 99 | 99.7 |
| Redundancy | 6.6 | 6.4 | 5.4 |
| CC(1/2) | 0.983 | 0.600 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium sulfate, 0.1 M BIS-Tris, 25 % w/v PEG-3350, pH 6.5 |
