9QO7
Streptavidin K121M with a thiophenol cofactor as artificial hydrogen atom transferase
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-12-09 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 57.832, 57.832, 77.739 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.890 - 2.000 |
| R-factor | 0.22722 |
| Rwork | 0.225 |
| R-free | 0.27757 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.787 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.890 | 2.071 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.034 | 0.607 |
| Rmeas | 0.048 | 0.858 |
| Rpim | 0.034 | 0.607 |
| Number of reflections | 9404 | 911 |
| <I/σ(I)> | 11.84 | 1.25 |
| Completeness [%] | 99.6 | 99.78 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.999 | 0.756 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1 M Na3 citrate, 0.1 M Na cacodylate pH 6.5 |
