13MR
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13275
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 | 82.680, 82.680, 134.530 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.600 - 2.080 |
| R-factor | 0.1789 |
| Rwork | 0.178 |
| R-free | 0.20420 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.893 |
| 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] | 39.520 | 39.520 | 2.130 |
| High resolution limit [Å] | 2.080 | 9.300 | 2.080 |
| Rmerge | 0.066 | 0.025 | 1.659 |
| Rmeas | 0.067 | 0.025 | 1.701 |
| Rpim | 0.015 | 0.006 | 0.372 |
| Total number of observations | 653065 | 6133 | 49348 |
| Number of reflections | 32647 | 424 | 2377 |
| <I/σ(I)> | 27.8 | 81.5 | 2.1 |
| Completeness [%] | 99.9 | 98.4 | 99.8 |
| Redundancy | 20 | 14.5 | 20.8 |
| CC(1/2) | 1.000 | 1.000 | 0.877 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
