6XNP
Crystal Structure of Human STING CTD complex with SR-717
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 | 2019-01-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.487, 77.627, 135.378 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.040 - 1.770 |
| R-factor | 0.1625 |
| Rwork | 0.160 |
| R-free | 0.20240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4emt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.765 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.770 | 3.810 | 1.770 |
| Rmerge | 0.054 | 0.032 | 0.343 |
| Rmeas | 0.059 | 0.035 | 0.374 |
| Rpim | 0.023 | 0.014 | 0.147 |
| Total number of observations | 228421 | ||
| Number of reflections | 35421 | 3806 | 3475 |
| <I/σ(I)> | 7.7 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 6.4 | 6.1 | 6.4 |
| CC(1/2) | 0.999 | 0.925 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 296 | PEG8000, calcium acetate, HEPES |
