9K7T
Crystal structure of designed zinc-induced homotetramer C4-Zn1-HEHE-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-28 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 4 |
| Unit cell lengths | 67.506, 67.506, 72.269 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.190 - 2.520 |
| R-factor | 0.1946 |
| Rwork | 0.185 |
| R-free | 0.24810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | RoseTTAFold |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.878 |
| 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] | 30.190 | 2.610 |
| High resolution limit [Å] | 2.520 | 2.520 |
| Rmerge | 0.063 | 0.177 |
| Number of reflections | 11060 | 1023 |
| <I/σ(I)> | 25.26 | |
| Completeness [%] | 98.2 | |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 2.4 M Sodium malonate dibasic |
