13OM
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13521
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 | 81.940, 81.940, 134.580 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.830 - 2.060 |
| R-factor | 0.1739 |
| Rwork | 0.173 |
| R-free | 0.18970 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.952 |
| 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] | 48.830 | 48.830 | 2.110 |
| High resolution limit [Å] | 2.060 | 9.210 | 2.060 |
| Rmerge | 0.094 | 0.036 | 1.731 |
| Rmeas | 0.097 | 0.037 | 1.775 |
| Rpim | 0.022 | 0.009 | 0.390 |
| Total number of observations | 652079 | 6217 | 48726 |
| Number of reflections | 33018 | 434 | 2386 |
| <I/σ(I)> | 20.5 | 54.1 | 2.1 |
| Completeness [%] | 100.0 | 98.4 | 99.9 |
| Redundancy | 19.7 | 14.3 | 20.4 |
| CC(1/2) | 0.998 | 0.998 | 0.808 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
