13QZ
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 3R-1315
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 | 81.970, 81.970, 134.930 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.860 - 1.990 |
| R-factor | 0.168 |
| Rwork | 0.167 |
| R-free | 0.18560 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.910 |
| 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] | 27.860 | 27.860 | 2.040 |
| High resolution limit [Å] | 1.990 | 8.900 | 1.990 |
| Rmerge | 0.090 | 0.032 | 1.542 |
| Rmeas | 0.093 | 0.033 | 1.582 |
| Rpim | 0.021 | 0.009 | 0.351 |
| Total number of observations | 709549 | 6053 | 54408 |
| Number of reflections | 36688 | 466 | 2698 |
| <I/σ(I)> | 22.1 | 55.4 | 2.5 |
| Completeness [%] | 100.0 | 97.2 | 100 |
| Redundancy | 19.3 | 13 | 20.2 |
| CC(1/2) | 1.000 | 1.000 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
