9O5I
Crystal structure of GutD2774
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-08-03 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.948, 108.395, 120.064 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.700 - 2.000 |
| R-factor | 0.1478 |
| Rwork | 0.147 |
| R-free | 0.18580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.846 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.700 | 2.071 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.033 | |
| Number of reflections | 67217 | 6427 |
| <I/σ(I)> | 13.91 | |
| Completeness [%] | 99.4 | 96.92 |
| Redundancy | 2 | |
| CC(1/2) | 0.998 | 0.932 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M Bis-Tris pH 6.5, 25% PEG1000, 75 mM MgCl2 |
