9HRP
Structure of YIUA from Yersinia ruckeri with iron
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2024-11-08 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.75166 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 92.494, 76.228, 99.926 |
| Unit cell angles | 90.00, 95.06, 90.00 |
Refinement procedure
| Resolution | 60.590 - 2.320 |
| R-factor | 0.2463 |
| Rwork | 0.244 |
| R-free | 0.28669 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.519 |
| 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] | 60.590 | 2.380 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.120 | 0.990 |
| Rpim | 0.090 | 0.700 |
| Number of reflections | 60167 | 4428 |
| <I/σ(I)> | 5.9 | 1 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.2 | |
| CC(1/2) | 0.990 | 0.730 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0,2 M sodium nitrate; 0.1 M Bis-Tris propane pH 6.5; 20% (w/v) PEG 3350 |
