13TA
PanDDA analysis group deposition -- IDOL RING domain in complex with Z1741976468
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 | 2025-02-22 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92205 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.657, 48.119, 71.003 |
| Unit cell angles | 90.00, 90.92, 90.00 |
Refinement procedure
| Resolution | 21.390 - 1.509 |
| R-factor | 0.1922 |
| Rwork | 0.191 |
| R-free | 0.22180 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.850 | 39.850 | 1.540 |
| High resolution limit [Å] | 1.510 | 8.140 | 1.510 |
| Rmerge | 0.134 | 0.071 | 1.972 |
| Rmeas | 0.145 | 0.079 | 2.193 |
| Rpim | 0.056 | 0.034 | 0.948 |
| Total number of observations | 314439 | ||
| Number of reflections | 47463 | 1930 | 12428 |
| <I/σ(I)> | 8 | 54.9 | 0.4 |
| Completeness [%] | 99.9 | 99.5 | 98 |
| Redundancy | 6.6 | 5.8 | 5.3 |
| CC(1/2) | 0.997 | 0.989 | 0.376 |
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 |
