13SL
PanDDA analysis group deposition -- IDOL RING domain in complex with Z275151340
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 | 2025-02-18 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92205 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.687, 47.789, 70.521 |
| Unit cell angles | 90.00, 90.99, 90.00 |
Refinement procedure
| Resolution | 70.510 - 1.339 |
| R-factor | 0.1966 |
| Rwork | 0.196 |
| R-free | 0.21360 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.160 |
| 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] | 70.500 | 70.500 | 1.360 |
| High resolution limit [Å] | 1.340 | 7.340 | 1.340 |
| Rmerge | 0.153 | 0.124 | 1.715 |
| Rmeas | 0.167 | 0.138 | 2.041 |
| Rpim | 0.066 | 0.060 | 1.066 |
| Total number of observations | 390354 | ||
| Number of reflections | 65761 | 2537 | 8348 |
| <I/σ(I)> | 5.6 | 33.9 | 0.2 |
| Completeness [%] | 98.0 | 99.9 | 74.1 |
| Redundancy | 5.9 | 5.7 | 3.4 |
| CC(1/2) | 0.994 | 0.991 | 0.297 |
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 |
