13QK
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PS-3475
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 | 2024-05-09 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 81.270, 81.270, 134.970 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.910 - 2.490 |
| R-factor | 0.1953 |
| Rwork | 0.194 |
| R-free | 0.22690 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.494 |
| 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] | 38.910 | 38.910 | 2.560 |
| High resolution limit [Å] | 2.490 | 11.140 | 2.490 |
| Rmerge | 0.111 | 0.032 | 2.215 |
| Rmeas | 0.114 | 0.033 | 2.270 |
| Rpim | 0.025 | 0.009 | 0.494 |
| Total number of observations | 371769 | 3036 | 28403 |
| Number of reflections | 18662 | 245 | 1357 |
| <I/σ(I)> | 23 | 61.9 | 1.8 |
| Completeness [%] | 100.0 | 97.4 | 100 |
| Redundancy | 19.9 | 12.4 | 20.9 |
| CC(1/2) | 1.000 | 1.000 | 0.697 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
