13NZ
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14215
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 | 81.880, 81.880, 134.780 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.380 - 1.970 |
| R-factor | 0.1706 |
| Rwork | 0.170 |
| R-free | 0.18470 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.889 |
| 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] | 39.170 | 39.170 | 2.020 |
| High resolution limit [Å] | 1.970 | 8.810 | 1.970 |
| Rmerge | 0.096 | 0.031 | 1.750 |
| Rmeas | 0.098 | 0.032 | 1.794 |
| Rpim | 0.022 | 0.008 | 0.391 |
| Total number of observations | 750977 | 7197 | 57402 |
| Number of reflections | 37679 | 487 | 2750 |
| <I/σ(I)> | 22 | 63.1 | 2 |
| Completeness [%] | 100.0 | 98.4 | 100 |
| Redundancy | 19.9 | 14.8 | 20.9 |
| CC(1/2) | 1.000 | 1.000 | 0.809 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
