9V3A
Crystal structure of de novo designed serotonin binder SROb2_26_L7F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 181 |
| Detector technology | PIXEL |
| Collection date | 2024-05-25 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 29.501, 65.893, 29.513 |
| Unit cell angles | 90.00, 90.70, 90.00 |
Refinement procedure
| Resolution | 26.930 - 2.000 |
| Rwork | 0.202 |
| R-free | 0.23410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.887 |
| 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] | 26.930 | 2.130 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.124 | |
| Rmeas | 0.148 | |
| Rpim | 0.080 | |
| Number of reflections | 7301 | 1121 |
| <I/σ(I)> | 16.88 | 6.83 |
| Completeness [%] | 99.0 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.996 | 0.969 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 291 | 25.5% (w/v) PEG 4000, 170 mM Ammonium sulfate, 15% (v/v) Glycerol |
