13SS
PanDDA analysis group deposition -- IDOL RING domain in complex with Z57475877
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 | 44.693, 47.903, 70.427 |
| Unit cell angles | 90.00, 90.72, 90.00 |
Refinement procedure
| Resolution | 15.570 - 1.689 |
| R-factor | 0.1975 |
| Rwork | 0.196 |
| R-free | 0.23400 |
| 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] | 39.600 | 39.600 | 1.720 |
| High resolution limit [Å] | 1.690 | 9.100 | 1.690 |
| Rmerge | 0.305 | 0.095 | 8.902 |
| Rmeas | 0.331 | 0.106 | 9.639 |
| Rpim | 0.126 | 0.047 | 3.660 |
| Total number of observations | 229688 | ||
| Number of reflections | 33566 | 1284 | 11211 |
| <I/σ(I)> | 9.4 | 56.6 | 0.7 |
| Completeness [%] | 99.6 | 99.3 | 93.3 |
| Redundancy | 6.8 | 5.4 | 6.9 |
| CC(1/2) | 0.992 | 0.984 | 0.018 |
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 |
