13PT
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13240
This is a non-PDB format compatible entry.
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 | 84.190, 84.190, 133.780 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.460 - 2.640 |
| R-factor | 0.1836 |
| Rwork | 0.182 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.495 |
| 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] | 38.040 | 38.040 | 2.710 |
| High resolution limit [Å] | 2.640 | 11.810 | 2.640 |
| Rmerge | 0.122 | 0.040 | 1.557 |
| Rmeas | 0.125 | 0.042 | 1.596 |
| Rpim | 0.028 | 0.012 | 0.349 |
| Total number of observations | 325398 | 2487 | 24719 |
| Number of reflections | 16668 | 214 | 1191 |
| <I/σ(I)> | 20.3 | 43.3 | 2.7 |
| Completeness [%] | 99.9 | 95.6 | 100 |
| Redundancy | 19.5 | 11.6 | 20.8 |
| CC(1/2) | 0.999 | 0.999 | 0.869 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
