13QR
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 5D-043
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 | 81.830, 81.830, 134.260 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.330 - 2.040 |
| R-factor | 0.1777 |
| Rwork | 0.176 |
| R-free | 0.20210 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.826 |
| 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] | 30.330 | 30.330 | 2.090 |
| High resolution limit [Å] | 2.040 | 9.120 | 2.040 |
| Rmerge | 0.083 | 0.035 | 1.741 |
| Rmeas | 0.085 | 0.036 | 1.787 |
| Rpim | 0.020 | 0.010 | 0.398 |
| Total number of observations | 650179 | 5492 | 49229 |
| Number of reflections | 33794 | 429 | 2462 |
| <I/σ(I)> | 20.3 | 49.2 | 2 |
| Completeness [%] | 100.0 | 97.2 | 100 |
| Redundancy | 19.2 | 12.8 | 20 |
| CC(1/2) | 0.999 | 0.997 | 0.841 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
