9V39
Crystal structure of de novo designed serotonin binder SROb2_30
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 181 |
| Detector technology | PIXEL |
| Collection date | 2024-06-12 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 55.330, 42.760, 86.305 |
| Unit cell angles | 90.00, 100.71, 90.00 |
Refinement procedure
| Resolution | 27.240 - 2.580 |
| R-factor | 0.3058 |
| Rwork | 0.298 |
| R-free | 0.36730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.996 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.240 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 13551 | 1668 |
| <I/σ(I)> | 6.99 | |
| Completeness [%] | 81.1 | |
| Redundancy | 4 | |
| CC(1/2) | 0.999 | 0.126 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 291 | 20% (w/v) PEG 10,000;100 mM HEPES Sodium hydroxide; pH 7.5 |
