13MO
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with TD1471
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 | 2024-05-02 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 81.730, 81.730, 134.520 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.390 - 2.450 |
| R-factor | 0.1801 |
| Rwork | 0.179 |
| R-free | 0.20480 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.619 |
| 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] | 35.390 | 35.390 | 2.510 |
| High resolution limit [Å] | 2.450 | 10.960 | 2.450 |
| Rmerge | 0.134 | 0.045 | 1.824 |
| Rmeas | 0.137 | 0.047 | 1.874 |
| Rpim | 0.031 | 0.013 | 0.426 |
| Total number of observations | 388098 | 3164 | 27381 |
| Number of reflections | 19725 | 259 | 1425 |
| <I/σ(I)> | 19.3 | 45.3 | 2.3 |
| Completeness [%] | 99.9 | 96.1 | 100 |
| Redundancy | 19.7 | 12.2 | 19.2 |
| CC(1/2) | 0.999 | 0.999 | 0.830 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
