13QT
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 7J-015
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 | 81.790, 81.790, 134.770 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.810 - 1.750 |
| R-factor | 0.1732 |
| Rwork | 0.172 |
| R-free | 0.18910 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.964 |
| 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] | 27.810 | 27.810 | 1.800 |
| High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
| Rmerge | 0.084 | 0.034 | 4.096 |
| Rmeas | 0.087 | 0.036 | 4.231 |
| Rpim | 0.020 | 0.009 | 1.055 |
| Total number of observations | 1003986 | 9378 | 61909 |
| Number of reflections | 53296 | 673 | 3872 |
| <I/σ(I)> | 18.8 | 57.8 | 0.8 |
| Completeness [%] | 100.0 | 97.9 | 100 |
| Redundancy | 18.8 | 13.9 | 16 |
| CC(1/2) | 0.999 | 0.998 | 0.341 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
