23KX
Regnase-1 PIN bound to suramin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 114.723, 114.723, 103.557 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.920 - 2.620 |
| R-factor | 0.224 |
| Rwork | 0.222 |
| R-free | 0.26550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.378 |
| Data reduction software | XDS |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.920 | 2.780 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Rmeas | 0.223 | 0.321 |
| Number of reflections | 45798 | 7291 |
| <I/σ(I)> | 10.2 | 1.39 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 5.4 | |
| CC(1/2) | 0.996 | 0.498 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293.15 | 0.8-1.2 M sodium dihydrogen phosphate, 0.4 M dipotassium phosphate, 0.1 M sodium citrate |
