13SQ
PanDDA analysis group deposition -- IDOL RING domain in complex with Z369936976
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 | 2025-02-20 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92204 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.306, 47.717, 70.640 |
| Unit cell angles | 90.00, 90.83, 90.00 |
Refinement procedure
| Resolution | 18.960 - 1.301 |
| R-factor | 0.1757 |
| Rwork | 0.174 |
| R-free | 0.20020 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.140 |
| 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] | 70.640 | 70.640 | 1.320 |
| High resolution limit [Å] | 1.300 | 7.120 | 1.300 |
| Rmerge | 0.108 | 0.095 | 1.107 |
| Rmeas | 0.118 | 0.106 | 1.394 |
| Rpim | 0.047 | 0.046 | 0.821 |
| Total number of observations | 398626 | ||
| Number of reflections | 69655 | 2821 | 6222 |
| <I/σ(I)> | 9.2 | 37.4 | 0.5 |
| Completeness [%] | 96.0 | 99.9 | 64.3 |
| Redundancy | 5.7 | 5.9 | 2.7 |
| CC(1/2) | 0.993 | 0.949 | 0.417 |
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 |
