9FFJ
Artificial metalloenzyme with a nickel-based 1,10-phenanthroline cofactor and streptavidin N49M-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 | 2024-05-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9655 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 57.460, 57.460, 172.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.510 - 1.270 |
| R-factor | 0.1782 |
| Rwork | 0.177 |
| R-free | 0.19650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.275 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_5246) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.510 | 1.300 |
| High resolution limit [Å] | 1.270 | 1.270 |
| Rmeas | 0.044 | 0.759 |
| Number of reflections | 37345 | 1801 |
| <I/σ(I)> | 17.2 | 2.1 |
| Completeness [%] | 97.7 | |
| Redundancy | 4.7 | 4.3 |
| CC(1/2) | 0.990 | 0.746 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 11% w/v PEG 8000 0.1M MES 6.0 0.24M Ammonium sulfate |
