13PX
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13634
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 | 82.320, 82.320, 134.280 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.090 - 2.470 |
| R-factor | 0.1952 |
| Rwork | 0.194 |
| R-free | 0.22950 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.506 |
| 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] | 35.090 | 35.090 | 2.530 |
| High resolution limit [Å] | 2.470 | 11.050 | 2.470 |
| Rmerge | 0.178 | 0.068 | 2.227 |
| Rmeas | 0.183 | 0.071 | 2.284 |
| Rpim | 0.042 | 0.019 | 0.506 |
| Total number of observations | 376554 | 3279 | 28802 |
| Number of reflections | 19484 | 255 | 1418 |
| <I/σ(I)> | 13.7 | 30.9 | 1.7 |
| Completeness [%] | 99.9 | 95.9 | 100 |
| Redundancy | 19.3 | 12.9 | 20.3 |
| CC(1/2) | 0.998 | 0.998 | 0.651 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
