13QX
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 1X-0873
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, 134.870 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.830 - 2.210 |
| R-factor | 0.1758 |
| Rwork | 0.174 |
| R-free | 0.20510 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.453 |
| 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] | 27.830 | 27.830 | 2.270 |
| High resolution limit [Å] | 2.210 | 9.880 | 2.210 |
| Rmerge | 0.165 | 0.047 | 1.531 |
| Rmeas | 0.169 | 0.049 | 1.571 |
| Rpim | 0.039 | 0.013 | 0.352 |
| Total number of observations | 513243 | 4182 | 37995 |
| Number of reflections | 26816 | 331 | 1931 |
| <I/σ(I)> | 15 | 36 | 2.5 |
| Completeness [%] | 99.9 | 94.7 | 100 |
| Redundancy | 19.1 | 12.6 | 19.7 |
| CC(1/2) | 0.999 | 0.999 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
