13RA
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 5X-0942
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 81.740, 81.740, 134.820 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.200 - 2.000 |
| R-factor | 0.1697 |
| Rwork | 0.169 |
| R-free | 0.19610 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.961 |
| 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] | 26.960 | 26.960 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.093 | 0.033 | 1.514 |
| Rmeas | 0.095 | 0.035 | 1.553 |
| Rpim | 0.022 | 0.009 | 0.345 |
| Total number of observations | 692320 | 5939 | 52507 |
| Number of reflections | 35912 | 454 | 2607 |
| <I/σ(I)> | 20.5 | 52.1 | 2.4 |
| Completeness [%] | 100.0 | 96.6 | 99.9 |
| Redundancy | 19.3 | 13.1 | 20.1 |
| CC(1/2) | 0.999 | 0.998 | 0.869 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
