8KBK
Structure of AcrIIA7 complexed with 1',2'-cADPR and cGG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-15 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.270, 57.690, 92.510 |
| Unit cell angles | 90.00, 121.71, 90.00 |
Refinement procedure
| Resolution | 27.080 - 2.280 |
| R-factor | 0.2319 |
| Rwork | 0.229 |
| R-free | 0.28850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.056 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.760 | 2.340 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.093 | 1.211 |
| Rmeas | 0.101 | 1.322 |
| Rpim | 0.038 | 0.523 |
| Total number of observations | 143086 | 9675 |
| Number of reflections | 21073 | 1528 |
| <I/σ(I)> | 11.5 | 1.7 |
| Completeness [%] | 98.2 | |
| Redundancy | 6.8 | 6.3 |
| CC(1/2) | 0.998 | 0.730 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Potassium thiocyanate, 20% w/v Polyethylene glycol 3350 |
