13OI
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13020
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 | 84.330, 84.330, 132.470 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.980 - 2.860 |
| R-factor | 0.1975 |
| Rwork | 0.196 |
| R-free | 0.22420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.431 |
| 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] | 36.520 | 36.520 | 2.930 |
| High resolution limit [Å] | 2.860 | 12.790 | 2.860 |
| Rmerge | 0.148 | 0.036 | 1.832 |
| Rmeas | 0.152 | 0.038 | 1.879 |
| Rpim | 0.035 | 0.011 | 0.416 |
| Total number of observations | 253154 | 1988 | 18678 |
| Number of reflections | 13083 | 174 | 922 |
| <I/σ(I)> | 20.6 | 48.7 | 2 |
| Completeness [%] | 99.9 | 94.6 | 99.9 |
| Redundancy | 19.3 | 11.4 | 20.3 |
| CC(1/2) | 0.999 | 1.000 | 0.848 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
