13OJ
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13319
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 | 2024-05-07 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 82.520, 82.520, 134.140 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.910 - 2.410 |
| R-factor | 0.1878 |
| Rwork | 0.187 |
| R-free | 0.20930 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.485 |
| 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] | 39.440 | 39.440 | 2.470 |
| High resolution limit [Å] | 2.410 | 10.780 | 2.410 |
| Rmerge | 0.082 | 0.027 | 1.700 |
| Rmeas | 0.084 | 0.028 | 1.742 |
| Rpim | 0.019 | 0.007 | 0.375 |
| Total number of observations | 418585 | 3619 | 32214 |
| Number of reflections | 21041 | 275 | 1528 |
| <I/σ(I)> | 27.4 | 70.6 | 2.4 |
| Completeness [%] | 100.0 | 96.9 | 100 |
| Redundancy | 19.9 | 13.2 | 21.1 |
| CC(1/2) | 1.000 | 0.999 | 0.815 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
