9K4Q
Crystal structure of designed zinc-induced homodimer C2-Zn1-HEHE-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-09 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.643, 93.272, 31.779 |
| Unit cell angles | 90.00, 118.72, 90.00 |
Refinement procedure
| Resolution | 27.870 - 2.000 |
| R-factor | 0.196 |
| Rwork | 0.190 |
| R-free | 0.24780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | RoseTTAFold |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.779 |
| 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] | 27.870 | 2.072 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.035 | 0.120 |
| Number of reflections | 10526 | 1024 |
| <I/σ(I)> | 21 | |
| Completeness [%] | 99.4 | |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.1 M HEPES pH7.5, 22% PEG400, 0.2 M NaCl |
