9WER
Aquifex aeolicus IscS2 with 6 mutations
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 100.980, 108.280, 83.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.370 - 3.100 |
| R-factor | 0.2313 |
| Rwork | 0.229 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.647 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmeas | 0.183 | 0.964 |
| Number of reflections | 8566 | 757 |
| <I/σ(I)> | 15.78 | 3.75 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.2 | 12.6 |
| CC(1/2) | 0.998 | 0.944 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.05M Lithium sulfate, 0.1M Tris-HCl, 50% (v/v) PEG200 |
