13SO
PanDDA analysis group deposition -- IDOL RING domain in complex with Z285233820
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-02-18 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92205 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.499, 47.688, 70.287 |
| Unit cell angles | 90.00, 90.74, 90.00 |
Refinement procedure
| Resolution | 44.490 - 1.615 |
| R-factor | 0.1961 |
| Rwork | 0.195 |
| R-free | 0.22600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.8.2) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.500 | 44.500 | 1.700 |
| High resolution limit [Å] | 1.610 | 5.110 | 1.610 |
| Rmerge | 0.144 | 0.086 | 1.566 |
| Rmeas | 0.158 | 0.095 | 1.717 |
| Rpim | 0.064 | 0.038 | 0.696 |
| Total number of observations | 224191 | ||
| Number of reflections | 37571 | 6835 | 32568 |
| <I/σ(I)> | 6.7 | 18.2 | 1.2 |
| Completeness [%] | 98.7 | 99.7 | 97.3 |
| Redundancy | 6 | 5.4 | 6 |
| CC(1/2) | 0.995 | 0.995 | 0.534 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 200 mM Sodium acetate, 100 mM Tris, 30% w/v PEG 4000 |
