8HUC
Crystal structure of PaIch (Pec1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-01 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.312, 66.197, 77.462 |
| Unit cell angles | 102.45, 95.07, 101.06 |
Refinement procedure
| Resolution | 27.586 - 1.984 |
| R-factor | 0.1831 |
| Rwork | 0.182 |
| R-free | 0.22060 |
| Structure solution method | MIR |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.168 |
| Data reduction software | PROTEUM (v3.0) |
| Data scaling software | PROTEUM (v3.0) |
| Phasing software | AutoSol |
| Refinement software | PHENIX (v1.14) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.760 | 2.050 |
| High resolution limit [Å] | 1.900 | 1.980 |
| Rmeas | 0.130 | |
| Number of reflections | 83791 | 7025 |
| <I/σ(I)> | 19.2 | |
| Completeness [%] | 98.2 | |
| Redundancy | 18.86 | |
| CC(1/2) | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% (w/v) PEG 3350, 200mM Potassium nitrate |
