13QY
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 2T-1515
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 | 81.760, 81.760, 135.130 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.400 - 2.360 |
| R-factor | 0.1835 |
| Rwork | 0.182 |
| R-free | 0.21450 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.564 |
| 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] | 35.400 | 35.400 | 2.420 |
| High resolution limit [Å] | 2.360 | 10.550 | 2.360 |
| Rmerge | 0.133 | 0.044 | 1.830 |
| Rmeas | 0.137 | 0.046 | 1.878 |
| Rpim | 0.031 | 0.013 | 0.417 |
| Total number of observations | 424894 | 3329 | 31941 |
| Number of reflections | 22128 | 290 | 1601 |
| <I/σ(I)> | 17.2 | 38.8 | 2.3 |
| Completeness [%] | 100.0 | 97.7 | 100 |
| Redundancy | 19.2 | 11.5 | 20 |
| CC(1/2) | 0.999 | 0.999 | 0.833 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
