8AQX
streptavidin mutant S112I with an iridium catalyst for CH activation
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 | 2022-07-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000413700316724 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.885, 88.831, 57.835 |
| Unit cell angles | 90.00, 97.30, 90.00 |
Refinement procedure
| Resolution | 46.190 - 1.850 |
| R-factor | 0.1749 |
| Rwork | 0.173 |
| R-free | 0.21060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pk2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.056 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.190 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 47474 | 2675 |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 96.8 | |
| Redundancy | 7.1 | |
| CC(1/2) | 0.999 | 0.924 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M NaCl 0.1 M BIS-TRIS 6.5 pH 25 % w/v PEG 3350 |
