9SWG
Crystal structure of PpDyP E209A variant in complex with manganese
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-18 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 159.012, 141.496, 89.496 |
| Unit cell angles | 90.00, 93.39, 90.00 |
Refinement procedure
| Resolution | 89.340 - 3.210 |
| R-factor | 0.2209 |
| Rwork | 0.219 |
| R-free | 0.26420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.586 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.340 | 3.620 |
| High resolution limit [Å] | 3.210 | 3.210 |
| Rmerge | 0.245 | |
| Number of reflections | 18874 | 944 |
| <I/σ(I)> | 4.3 | |
| Completeness [%] | 90.4 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.979 | 0.407 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 0.1 M magnesium formate dihydrate, 17% (w/v) PEG 3350 |
