13SW
PanDDA analysis group deposition -- IDOL RING domain in complex with POB0087
This is a non-PDB format compatible entry.
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 | 2025-02-22 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92205 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.504, 48.021, 70.542 |
| Unit cell angles | 90.00, 90.80, 90.00 |
Refinement procedure
| Resolution | 39.700 - 1.371 |
| R-factor | 0.1906 |
| Rwork | 0.190 |
| R-free | 0.21340 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.130 |
| 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] | 39.690 | 39.690 | 1.390 |
| High resolution limit [Å] | 1.370 | 7.500 | 1.370 |
| Rmerge | 0.101 | 0.069 | 1.906 |
| Rmeas | 0.110 | 0.076 | 2.233 |
| Rpim | 0.043 | 0.033 | 1.135 |
| Total number of observations | 380719 | ||
| Number of reflections | 62314 | 2438 | 10429 |
| <I/σ(I)> | 9.5 | 49.3 | 0.3 |
| Completeness [%] | 99.3 | 99.6 | 89.4 |
| Redundancy | 6.1 | 5.9 | 3.7 |
| CC(1/2) | 0.998 | 0.998 | 0.311 |
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 |
