9P8L
Structure of Lockin in complex with 3'cADPR
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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-02-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97920 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 46.584, 74.424, 80.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.580 - 1.620 |
| R-factor | 0.1782 |
| Rwork | 0.177 |
| R-free | 0.20930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.842 |
| Data reduction software | RAPD |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.330 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Number of reflections | 36306 | 1774 |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13 | 13.3 |
| CC(1/2) | 0.998 | 0.823 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 11.5% PEG6000, 0.1 M HEPES, pH 7.5, 5% v/v MPD |
