7MWN
An engineered PYL2-based WIN 55,212-2 synthetic cannabinoid sensor with a stabilized HAB1 variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-02-10 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.326, 69.226, 142.817 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.610 - 1.902 |
R-factor | 0.1862 |
Rwork | 0.185 |
R-free | 0.21140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4la7 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.520 | 46.520 | 1.950 |
High resolution limit [Å] | 1.900 | 8.510 | 1.900 |
Rmerge | 0.056 | 0.027 | 1.278 |
Rmeas | 0.066 | 0.031 | 1.487 |
Total number of observations | 352075 | ||
Number of reflections | 48429 | 1030 | 6728 |
<I/σ(I)> | 11.76 | 34.02 | 1.16 |
Completeness [%] | 99.6 | 98.5 | 98.6 |
Redundancy | 3.826 | 3.573 | 3.772 |
CC(1/2) | 0.999 | 0.999 | 0.567 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | 100 mM bis-tris propane, 200 mM sodium bromide and 19% (w/v) PEG 3,350 |