13SD
PanDDA analysis group deposition -- IDOL RING domain in complex with Z1516316257
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 | 2025-02-13 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92203 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.715, 48.178, 70.669 |
| Unit cell angles | 90.00, 90.89, 90.00 |
Refinement procedure
| Resolution | 21.410 - 1.520 |
| R-factor | 0.1731 |
| Rwork | 0.172 |
| R-free | 0.19240 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.040 |
| 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] | 39.820 | 39.820 | 1.550 |
| High resolution limit [Å] | 1.520 | 8.330 | 1.520 |
| Rmerge | 0.157 | 0.089 | 2.472 |
| Rmeas | 0.170 | 0.099 | 2.754 |
| Rpim | 0.065 | 0.043 | 1.194 |
| Total number of observations | 311311 | ||
| Number of reflections | 46398 | 1728 | 12018 |
| <I/σ(I)> | 11.9 | 39.3 | 1.5 |
| Completeness [%] | 99.9 | 99.4 | 97.6 |
| Redundancy | 6.7 | 5.6 | 5.4 |
| CC(1/2) | 0.994 | 0.954 | 0.263 |
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 |
