13NR
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr16749
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 | 82.250, 82.250, 135.390 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.120 - 2.080 |
| R-factor | 0.1851 |
| Rwork | 0.184 |
| R-free | 0.20660 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.513 |
| 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] | 39.350 | 39.350 | 2.130 |
| High resolution limit [Å] | 2.080 | 9.300 | 2.080 |
| Rmerge | 0.079 | 0.033 | 1.451 |
| Rmeas | 0.081 | 0.034 | 1.490 |
| Rpim | 0.018 | 0.008 | 0.337 |
| Total number of observations | 642639 | 6150 | 46220 |
| Number of reflections | 32548 | 420 | 2386 |
| <I/σ(I)> | 23.3 | 60 | 2.4 |
| Completeness [%] | 100.0 | 98 | 100 |
| Redundancy | 19.7 | 14.6 | 19.4 |
| CC(1/2) | 1.000 | 1.000 | 0.829 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
