13OE
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12542
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 | 2024-05-07 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 81.950, 81.950, 135.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.490 - 1.850 |
| R-factor | 0.1663 |
| Rwork | 0.166 |
| R-free | 0.18340 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.198 |
| 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] | 48.910 | 48.910 | 1.900 |
| High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
| Rmerge | 0.073 | 0.031 | 2.084 |
| Rmeas | 0.075 | 0.032 | 2.140 |
| Rpim | 0.017 | 0.008 | 0.484 |
| Total number of observations | 896517 | 9002 | 63895 |
| Number of reflections | 45523 | 585 | 3316 |
| <I/σ(I)> | 23.2 | 63 | 1.6 |
| Completeness [%] | 100.0 | 99.1 | 99.9 |
| Redundancy | 19.7 | 15.4 | 19.3 |
| CC(1/2) | 1.000 | 1.000 | 0.729 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
