13NA
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12973
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 | 82.810, 82.810, 134.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.430 - 2.370 |
| R-factor | 0.1822 |
| Rwork | 0.181 |
| R-free | 0.20930 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.027 |
| 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] | 39.570 | 39.570 | 2.430 |
| High resolution limit [Å] | 2.370 | 10.600 | 2.370 |
| Rmerge | 0.111 | 0.032 | 2.189 |
| Rmeas | 0.114 | 0.033 | 2.243 |
| Rpim | 0.026 | 0.009 | 0.490 |
| Total number of observations | 444228 | 3940 | 33872 |
| Number of reflections | 22297 | 289 | 1628 |
| <I/σ(I)> | 20 | 55.6 | 1.7 |
| Completeness [%] | 99.9 | 97 | 100 |
| Redundancy | 19.9 | 13.6 | 20.8 |
| CC(1/2) | 1.000 | 1.000 | 0.801 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
