13RH
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with FS-2990
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 | 81.730, 81.730, 135.170 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.040 - 1.980 |
| R-factor | 0.1737 |
| Rwork | 0.172 |
| R-free | 0.20130 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.891 |
| 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] | 27.030 | 27.030 | 2.030 |
| High resolution limit [Å] | 1.980 | 8.850 | 1.980 |
| Rmerge | 0.092 | 0.039 | 1.778 |
| Rmeas | 0.095 | 0.040 | 1.824 |
| Rpim | 0.022 | 0.011 | 0.404 |
| Total number of observations | 716153 | 6260 | 54145 |
| Number of reflections | 37072 | 466 | 2679 |
| <I/σ(I)> | 19.9 | 51.5 | 2.2 |
| Completeness [%] | 100.0 | 96.7 | 100 |
| Redundancy | 19.3 | 13.4 | 20.2 |
| CC(1/2) | 0.999 | 0.999 | 0.856 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
