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 |