9FNR
Artificial metalloenzyme with a nickel-based 1,10-phenanthroline cofactor and streptavidin S112V mutant
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.965460 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 57.100, 57.100, 172.197 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.050 - 1.640 |
| R-factor | 0.1643 |
| Rwork | 0.162 |
| R-free | 0.20570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.772 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_5246) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.050 | 1.730 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmeas | 0.054 | 1.390 |
| Number of reflections | 31995 | 4478 |
| <I/σ(I)> | 27.36 | 0.8 |
| Completeness [%] | 96.2 | 79.2 |
| Redundancy | 18.25 | |
| CC(1/2) | 1.000 | 0.512 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 1.6M Magnesium sulfate heptahydrate,0.1M HEPES 7.2, 6% v/v Glycerol |
