9K7U
Crystal structure of designed zinc-induced heterodimer Heter-Zn2-HEHE-22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-02 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 60.879, 60.879, 91.668 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.440 - 1.900 |
| R-factor | 0.1747 |
| Rwork | 0.171 |
| R-free | 0.21210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | RoseTTAFold |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.881 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.440 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.063 | 0.287 |
| Number of reflections | 14176 | 1390 |
| <I/σ(I)> | 30.21 | |
| Completeness [%] | 100.0 | |
| Redundancy | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350 |
