13QQ
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 10W-0336
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 | 82.850, 82.850, 133.970 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.880 - 2.410 |
| R-factor | 0.2299 |
| Rwork | 0.228 |
| R-free | 0.26380 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.587 |
| 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] | 35.880 | 35.880 | 2.470 |
| High resolution limit [Å] | 2.410 | 10.780 | 2.410 |
| Rmerge | 0.201 | 0.052 | 2.681 |
| Rmeas | 0.207 | 0.055 | 2.753 |
| Rpim | 0.048 | 0.016 | 0.619 |
| Total number of observations | 395670 | 3163 | 30587 |
| Number of reflections | 21116 | 279 | 1556 |
| <I/σ(I)> | 11.5 | 28.6 | 1.4 |
| Completeness [%] | 99.6 | 97 | 100 |
| Redundancy | 18.7 | 11.3 | 19.7 |
| CC(1/2) | 0.998 | 0.996 | 0.601 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
