13SM
PanDDA analysis group deposition -- IDOL RING domain in complex with Z275179946
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 | 2025-02-17 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92205 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.648, 48.088, 70.942 |
| Unit cell angles | 90.00, 90.82, 90.00 |
Refinement procedure
| Resolution | 13.980 - 1.400 |
| R-factor | 0.1763 |
| Rwork | 0.175 |
| R-free | 0.20540 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.090 |
| 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] | 39.810 | 39.810 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
| Rmerge | 0.124 | 0.088 | 2.210 |
| Rmeas | 0.135 | 0.097 | 2.522 |
| Rpim | 0.052 | 0.041 | 1.189 |
| Total number of observations | 372838 | ||
| Number of reflections | 59404 | 2335 | 12300 |
| <I/σ(I)> | 9.7 | 47 | 0.5 |
| Completeness [%] | 100.0 | 99.6 | 99.4 |
| Redundancy | 6.3 | 5.9 | 4.3 |
| CC(1/2) | 0.995 | 0.974 | 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 |
