9IF3
Structure of YIUA from Yersinia ruckeri with Iron and DHB-L-Arg-L-Ser
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] | 120 |
| Detector technology | PIXEL |
| Collection date | 2024-11-22 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97627 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.073, 80.018, 223.696 |
| Unit cell angles | 90.00, 89.86, 90.00 |
Refinement procedure
| Resolution | 75.560 - 2.450 |
| R-factor | 0.24845 |
| Rwork | 0.247 |
| R-free | 0.27667 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.492 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.560 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.130 | 0.370 |
| Rpim | 0.230 | |
| Number of reflections | 103842 | 5069 |
| <I/σ(I)> | 7.9 | 2.9 |
| Completeness [%] | 99.5 | |
| Redundancy | 7.2 | |
| CC(1/2) | 1.000 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M Lithium Sulfate; 0.1 M HEPES pH 7.5; 25% (w/v) PEG 3350 |
