8P5Y
Artificial transfer hydrogenase with a Mn-12 cofactor and Streptavidin S112Y-K121M mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.437, 51.198, 92.535 |
| Unit cell angles | 90.00, 117.46, 90.00 |
Refinement procedure
| Resolution | 45.890 - 1.880 |
| R-factor | 0.1994 |
| Rwork | 0.196 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.340 |
| Data reduction software | XDS (VERSION Jan 10, 2022 BUILT=20220220) |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_4827) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.890 | 1.940 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.157 | |
| Number of reflections | 33538 | 2320 |
| <I/σ(I)> | 6.49 | 0.75 |
| Completeness [%] | 95.6 | 80.7 |
| Redundancy | 5.2 | 4.4 |
| CC(1/2) | 0.992 | 0.386 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1 M Sodium/potassium phosphate, 0.1 M HEPES pH 7.5, 15 % v/v PEG, Smear High, 10 % v/v Ethylene glycol |
