13RB
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 9R-0337
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 | 81.110, 81.110, 134.380 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.310 - 1.680 |
| R-factor | 0.1744 |
| Rwork | 0.173 |
| R-free | 0.19390 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.296 |
| 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] | 30.310 | 30.310 | 1.720 |
| High resolution limit [Å] | 1.680 | 7.510 | 1.680 |
| Rmerge | 0.095 | 0.036 | 4.282 |
| Rmeas | 0.097 | 0.038 | 4.433 |
| Rpim | 0.022 | 0.010 | 1.129 |
| Total number of observations | 1082951 | 10458 | 64097 |
| Number of reflections | 58778 | 740 | 4309 |
| <I/σ(I)> | 18.5 | 58.5 | 0.7 |
| Completeness [%] | 99.7 | 98.3 | 99 |
| Redundancy | 18.4 | 14.1 | 14.9 |
| CC(1/2) | 1.000 | 0.999 | 0.323 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
