13SV
PanDDA analysis group deposition -- IDOL RING domain in complex with Z954606858
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 | 2025-02-21 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92205 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.554, 47.863, 70.164 |
| Unit cell angles | 90.00, 90.77, 90.00 |
Refinement procedure
| Resolution | 70.160 - 1.680 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.23290 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.8.2) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 70.160 | 70.160 | 1.770 |
| High resolution limit [Å] | 1.680 | 5.310 | 1.680 |
| Rmerge | 0.240 | 0.075 | 2.510 |
| Rmeas | 0.264 | 0.084 | 2.773 |
| Rpim | 0.109 | 0.036 | 1.162 |
| Total number of observations | 190018 | ||
| Number of reflections | 33947 | 5772 | 26943 |
| <I/σ(I)> | 6.1 | 16.5 | 1.2 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 5.6 | 5.1 | 5.4 |
| CC(1/2) | 0.991 | 0.991 | 0.360 |
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 |
