13SF
PanDDA analysis group deposition -- IDOL RING domain in complex with Z1685106505
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 | 44.588, 47.937, 70.844 |
| Unit cell angles | 90.00, 90.82, 90.00 |
Refinement procedure
| Resolution | 29.770 - 1.708 |
| R-factor | 0.2318 |
| Rwork | 0.230 |
| R-free | 0.26520 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.009 |
| 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] | 39.700 | 39.700 | 1.740 |
| High resolution limit [Å] | 1.710 | 9.030 | 1.710 |
| Rmerge | 0.324 | 0.115 | 4.776 |
| Rmeas | 0.351 | 0.127 | 5.164 |
| Rpim | 0.133 | 0.052 | 1.950 |
| Total number of observations | 224238 | ||
| Number of reflections | 32591 | 1395 | 11273 |
| <I/σ(I)> | 4.4 | 27 | 0.3 |
| Completeness [%] | 99.7 | 99.3 | 95.3 |
| Redundancy | 6.9 | 5.6 | 6.9 |
| CC(1/2) | 0.987 | 0.980 | 0.456 |
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 |
