13MP
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with TD1452
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 | 83.110, 83.110, 133.750 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.900 - 2.420 |
| R-factor | 0.2109 |
| Rwork | 0.209 |
| R-free | 0.24510 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.539 |
| 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] | 39.680 | 39.680 | 2.480 |
| High resolution limit [Å] | 2.420 | 10.820 | 2.420 |
| Rmerge | 0.162 | 0.034 | 2.286 |
| Rmeas | 0.166 | 0.035 | 2.342 |
| Rpim | 0.038 | 0.009 | 0.506 |
| Total number of observations | 419064 | 3672 | 32303 |
| Number of reflections | 21005 | 280 | 1523 |
| <I/σ(I)> | 19.9 | 56.4 | 1.5 |
| Completeness [%] | 99.9 | 97.6 | 100 |
| Redundancy | 20 | 13.1 | 21.2 |
| CC(1/2) | 0.998 | 0.998 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
