13SC
PanDDA analysis group deposition -- IDOL RING domain in complex with Z1491353358
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) | 0.92203 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.515, 48.206, 71.266 |
| Unit cell angles | 90.00, 90.81, 90.00 |
Refinement procedure
| Resolution | 21.330 - 1.475 |
| R-factor | 0.1863 |
| Rwork | 0.185 |
| R-free | 0.20890 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.080 |
| 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] | 39.940 | 39.940 | 1.500 |
| High resolution limit [Å] | 1.480 | 7.950 | 1.480 |
| Rmerge | 0.156 | 0.104 | 2.359 |
| Rmeas | 0.170 | 0.115 | 2.648 |
| Rpim | 0.066 | 0.050 | 1.182 |
| Total number of observations | 332985 | ||
| Number of reflections | 50837 | 2008 | 12110 |
| <I/σ(I)> | 8.5 | 34.5 | 0.6 |
| Completeness [%] | 99.6 | 99.5 | 93.3 |
| Redundancy | 6.6 | 5.6 | 5 |
| CC(1/2) | 0.991 | 0.945 | 0.343 |
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 |
