13NL
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14367
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 | 2024-05-06 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 82.010, 82.010, 135.070 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.030 - 2.130 |
| R-factor | 0.1925 |
| Rwork | 0.192 |
| R-free | 0.21190 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.453 |
| 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] | 39.240 | 39.240 | 2.190 |
| High resolution limit [Å] | 2.130 | 9.530 | 2.130 |
| Rmerge | 0.181 | 0.041 | 1.597 |
| Rmeas | 0.186 | 0.042 | 1.638 |
| Rpim | 0.043 | 0.011 | 0.365 |
| Total number of observations | 585749 | 5658 | 43915 |
| Number of reflections | 30031 | 393 | 2196 |
| <I/σ(I)> | 17 | 47.4 | 2.2 |
| Completeness [%] | 99.7 | 98.3 | 100 |
| Redundancy | 19.5 | 14.4 | 20 |
| CC(1/2) | 0.998 | 0.999 | 0.823 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
