37JY
Structure of PanS (DisA N-terminal domain) bound to cyclic UMP-AMP
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2025-12-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97905 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.881, 56.965, 108.727 |
| Unit cell angles | 90.00, 90.55, 90.00 |
Refinement procedure
| Resolution | 59.700 - 1.510 |
| R-factor | 0.1925 |
| Rwork | 0.191 |
| R-free | 0.21810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.646 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.15) |
| Phasing software | PHASER |
| Refinement software | PHENIX (2.0_5885) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.880 | 1.540 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Number of reflections | 137052 | 6603 |
| <I/σ(I)> | 17.5 | |
| Completeness [%] | 99.2 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.999 | 0.718 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M HEPES pH 7.5, 20% PEG 8000 |
