13SH
PanDDA analysis group deposition -- IDOL RING domain in complex with Z234898049
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 | 2025-02-17 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92205 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.505, 48.048, 70.923 |
| Unit cell angles | 90.00, 90.66, 90.00 |
Refinement procedure
| Resolution | 22.750 - 1.600 |
| R-factor | 0.1981 |
| Rwork | 0.197 |
| R-free | 0.23250 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| 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] | 70.960 | 70.960 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.193 | 0.093 | 2.753 |
| Rmeas | 0.209 | 0.103 | 3.009 |
| Rpim | 0.079 | 0.045 | 1.192 |
| Total number of observations | 272284 | ||
| Number of reflections | 39686 | 1471 | 11787 |
| <I/σ(I)> | 6.8 | 39.7 | 0.5 |
| Completeness [%] | 99.8 | 99.8 | 96.6 |
| Redundancy | 6.9 | 5.5 | 6.3 |
| CC(1/2) | 0.993 | 0.968 | 0.310 |
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 |
