9C01
UIC-1 bound to phenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-01 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 13.916, 13.389, 27.419 |
| Unit cell angles | 90.00, 98.75, 90.00 |
Refinement procedure
| Resolution | 13.550 - 0.830 |
| Rwork | 0.086 |
| R-free | 0.11620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.286 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.550 | 0.860 |
| High resolution limit [Å] | 0.830 | 0.830 |
| Number of reflections | 9671 | 946 |
| <I/σ(I)> | 40.19 | |
| Completeness [%] | 99.9 | |
| Redundancy | 9.8 | |
| CC(1/2) | 1.000 | 0.984 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SLOW COOLING | 298 | acetonitrile and water |
