13QU
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PS-4774
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 | 82.230, 82.230, 135.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.920 - 2.100 |
| R-factor | 0.1815 |
| Rwork | 0.180 |
| R-free | 0.21580 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.958 |
| 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] | 27.000 | 27.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
| Rmerge | 0.099 | 0.038 | 1.501 |
| Rmeas | 0.102 | 0.040 | 1.540 |
| Rpim | 0.023 | 0.011 | 0.342 |
| Total number of observations | 602726 | 4969 | 46210 |
| Number of reflections | 31370 | 401 | 2302 |
| <I/σ(I)> | 20.1 | 50.1 | 2.2 |
| Completeness [%] | 99.5 | 96.4 | 100 |
| Redundancy | 19.2 | 12.4 | 20.1 |
| CC(1/2) | 0.999 | 0.999 | 0.802 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
