13RZ
PanDDA analysis group deposition -- IDOL RING domain in complex with Z1118527729
This is a non-PDB format compatible entry.
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 | 2025-02-12 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92202 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.540, 48.100, 70.450 |
| Unit cell angles | 90.00, 90.81, 90.00 |
Refinement procedure
| Resolution | 22.760 - 1.660 |
| R-factor | 0.2017 |
| Rwork | 0.200 |
| R-free | 0.22870 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| 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] | 37.890 | 37.890 | 1.700 |
| High resolution limit [Å] | 1.660 | 7.420 | 1.660 |
| Rmerge | 0.224 | 0.070 | 2.119 |
| Rmeas | 0.243 | 0.077 | 2.292 |
| Rpim | 0.093 | 0.031 | 0.866 |
| Total number of observations | 239252 | ||
| Number of reflections | 35420 | 2432 | 17673 |
| <I/σ(I)> | 6.9 | 25.4 | 1 |
| Completeness [%] | 100.0 | 99.1 | 100 |
| Redundancy | 6.8 | 5.7 | 6.9 |
| CC(1/2) | 0.994 | 0.996 | 0.380 |
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 |
