13NX
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13501
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 | 82.950, 82.950, 134.920 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.330 - 2.240 |
| R-factor | 0.1975 |
| Rwork | 0.196 |
| R-free | 0.22480 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.501 |
| 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] | 41.470 | 41.470 | 2.300 |
| High resolution limit [Å] | 2.240 | 10.020 | 2.240 |
| Rmerge | 0.130 | 0.039 | 1.534 |
| Rmeas | 0.133 | 0.040 | 1.579 |
| Rpim | 0.030 | 0.010 | 0.371 |
| Total number of observations | 515645 | 4949 | 34308 |
| Number of reflections | 26442 | 349 | 1895 |
| <I/σ(I)> | 16.9 | 42.7 | 2.5 |
| Completeness [%] | 99.9 | 98.7 | 98.5 |
| Redundancy | 19.5 | 14.2 | 18.1 |
| CC(1/2) | 0.999 | 0.999 | 0.894 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
