13PD
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr16677
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-09 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 82.950, 82.950, 133.280 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.210 - 2.620 |
| R-factor | 0.2232 |
| Rwork | 0.222 |
| R-free | 0.25300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.460 |
| 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] | 35.210 | 35.210 | 2.690 |
| High resolution limit [Å] | 2.620 | 11.720 | 2.620 |
| Rmerge | 0.134 | 0.042 | 1.616 |
| Rmeas | 0.137 | 0.043 | 1.656 |
| Rpim | 0.031 | 0.012 | 0.362 |
| Total number of observations | 319962 | 2624 | 24646 |
| Number of reflections | 16497 | 214 | 1186 |
| <I/σ(I)> | 16.7 | 38 | 2 |
| Completeness [%] | 99.9 | 96 | 100 |
| Redundancy | 19.4 | 12.3 | 20.8 |
| CC(1/2) | 0.999 | 1.000 | 0.874 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
