8HP2
CtPDC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-06 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.471, 85.295, 113.534 |
| Unit cell angles | 90.00, 120.71, 90.00 |
Refinement procedure
| Resolution | 47.200 - 3.050 |
| R-factor | 0.23502 |
| Rwork | 0.233 |
| R-free | 0.28476 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vjy |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.226 |
| Data scaling software | Aimless |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.200 | 3.260 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.143 | 0.558 |
| Number of reflections | 17253 | 3217 |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 89.3 | |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium malonate pH 5.5, 18% Polyethylene glycol 3350 |
