7S7T
iNicSnFR3a Nicotine Sensor comprising Periplasmic Binding sequence plus Fluorescent Sequence with varenicline bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.7711 |
| Spacegroup name | P 61 |
| Unit cell lengths | 190.366, 190.366, 49.742 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.870 - 3.200 |
| R-factor | 0.1901 |
| Rwork | 0.187 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6efr |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.870 | 3.318 |
| High resolution limit [Å] | 3.200 | 3.203 |
| Rpim | 0.032 | 0.611 |
| Number of reflections | 17371 | 1669 |
| <I/σ(I)> | 17.7 | 1.07 |
| Completeness [%] | 99.5 | 96.4 |
| Redundancy | 19.3 | 18.7 |
| CC(1/2) | 0.999 | 0.666 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG 3,350 0.2 M Sodium malonate, pH 8.0 0.1 M Bistrispropane, pH 8.5 |
