13QA
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12206
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-09 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 81.890, 81.890, 135.280 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.050 - 1.800 |
| R-factor | 0.1815 |
| Rwork | 0.181 |
| R-free | 0.20130 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.625 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | DIMPLE |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.950 | 48.950 | 1.850 |
| High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
| Rmerge | 0.125 | 0.033 | 4.807 |
| Rmeas | 0.128 | 0.034 | 4.931 |
| Rpim | 0.029 | 0.008 | 1.097 |
| Total number of observations | 980574 | 10075 | 71069 |
| Number of reflections | 49344 | 636 | 3582 |
| <I/σ(I)> | 16.4 | 59.1 | 0.9 |
| Completeness [%] | 100.0 | 99 | 100 |
| Redundancy | 19.9 | 15.8 | 19.8 |
| CC(1/2) | 0.999 | 0.999 | 0.347 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
