9QNE
Streptavidin 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 | 2024-04-20 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 57.388, 57.388, 182.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.740 - 1.840 |
| R-factor | 0.16707 |
| Rwork | 0.165 |
| R-free | 0.20164 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.751 |
| 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] | 41.740 | 1.906 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.025 | 0.258 |
| Rmeas | 0.035 | 0.365 |
| Rpim | 0.025 | 0.258 |
| Number of reflections | 13751 | 1331 |
| <I/σ(I)> | 15.24 | 2.3 |
| Completeness [%] | 99.9 | |
| Redundancy | 2 | |
| CC(1/2) | 1.000 | 0.910 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M MES pH 5.5, 25 % w/v PEG 4K, 0.15 M (NH4)2SO4 |
